Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.41 |
| ▸ | FNTB | P49356 | 1/20 | 0.41 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7597273 | 0.81 | PPARD (0.52) | PPARDTSHRFNTAFNTBPGGT1B | |
| SCHEMBL10388124 | 0.79 | PPARD (0.50) | PPARDTSHRFNTAFNTBPGGT1B | |
| SCHEMBL17860875 | 0.79 | CYP3A4 (0.50) | TSHRALDH1A1 | |
| SCHEMBL246813 | 0.78 | TSHR (0.52) | PPARDTSHRTDP1TP53CA12 | |
| SCHEMBL418898 | 0.77 | PPARD (0.48) | PPARDTSHRFNTAFNTBPGGT1B | |
| SCHEMBL2640099 | 0.77 | PPARD (0.48) | PPARDTSHRFNTAFNTBPGGT1B | |
| SCHEMBL11913313 | 0.76 | TDP1 (0.44) | PPARDTSHRTDP1TP53CA12 | |
| Acetic Acid SCHEMBL27613905 | 0.76 | PPARD (0.52) | PPARDTSHRFNTAFNTBPGGT1B | |
| SCHEMBL3939887 | 0.76 | PPARD (0.47) | PPARDTSHRFNTAFNTBPGGT1B | |
| SCHEMBL28916777 | 0.76 | ENO1 (0.52) | PPARDTSHRFNTAFNTBPGGT1B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017059411-A9 | INHIBITORS OF MENAQUINONE BIOSYNTHESIS | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2017-08-31 | — | — | WO | disclosed |
| US-20150038460-A1 | 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor | GENENTECH, INC. (US) | 2015-02-05 | — | — | US | disclosed |
| US-8901313-B2 | 6,5-heterocyclic propargylic alcohol compounds and uses therefor | GENENTECH, INC. (US) | 2014-12-02 | — | — | US | disclosed |
| EP-2686314-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F.HOFFMANN-LA ROCHE AG (CH) | 2014-01-22 | — | — | EP | disclosed |
| US-8546404-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME (US) | 2013-10-01 | — | — | US | disclosed |
| US-20120295856-A1 | FREDERICAMYCIN DERIVATIVES | ZENTOPHARM GMBH (DE) | 2012-11-22 | — | — | US | disclosed |
| WO-2012123522-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-20 | — | — | WO | disclosed |
| US-20120214762-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | GENENTECH, INC. (US) | 2012-08-23 | — | — | US | disclosed |
| US-8247424-B2 | Water soluble groups on ring A; antitumor antibiotics; 1-Desoxy-5-C-[(8R)-4',9,9'-trihydroxy-6'-methoxy-1,1',3',5',8'-pentaoxo-1,1',2,3',5',6,7,8'-octahydrospiro[cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]-naphthalene]-3-yl]pentitol; topoisomerase inhibitors; cyclodextrin inclusions; stereoisomers | ZENTOPHARM GMBH (DE) | 2012-08-21 | — | — | US | disclosed |
| US-8066914-B2 | 7-ethynyl-2,4,9-trithiaadamantane and related methods | UNIVERSITY OF AKRON (US) | 2011-11-29 | — | — | US | disclosed |
| US-20050256066-A1 | Water soluble groups on ring A; antitumor antibiotics; 1-Desoxy-5-C-[(8R)-4',9,9'-trihydroxy-6'-methoxy-1,1',3',5',8'-pentaoxo-1,1',2,3',5',6,7,8'-octahydrospiro[cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]-naphthalene]-3-yl]pentitol; topoisomerase inhibitors; cyclodextrin inclusions; stereoisomers | BIOFRONTERA DISCOVERY GMBH (DE) | 2005-11-17 | — | — | US | disclosed |
| US-20050239786-A1 | Triazole derivatives as tachykinin receptor antagonists | ELI LILLY COMPANY (US) | 2005-10-27 | — | — | US | disclosed |
| US-20050239776-A1 | Tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 2005-10-27 | — | — | US | disclosed |
| EP-1501809-A1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-02-02 | — | — | EP | disclosed |
| EP-1501808-A1 | TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2005003089-A2 | 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS | THE UNIVERSITY OF AKRON (US) | 2005-01-13 | — | — | WO | disclosed |
| WO-2004103985-A2 | DERIVATIVES OF FUSAROCHROMANONE AS THERAPEUTIC AGENTS | UNIVERSITY OF SOUTH CAROLINA (US) | 2004-12-02 | — | — | WO | disclosed |
| WO-2003091227-A1 | TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2003-11-06 | — | — | WO | disclosed |
| WO-2003091226-A1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2003-11-06 | — | — | WO | disclosed |
| US-20030096875-A1 | Oxidized carotenoid fractions and ketoaldehyde useful as cell-differentiation inducers, cytostatic agents, and anti-tumor agents | CHEMAPHOR INC. (CA) | 2003-05-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050239786-A1 | Triazole derivatives as tachykinin receptor antagonists | TACR1, TACR2, BDKRB1 | PPARD 3932/4885TSHR 251/4885FNTA 3387/4885 |
| US-20050239776-A1 | Tachykinin receptor antagonists | TACR2, TACR1, PROKR1 | PPARD 3887/4885TSHR 337/4885FNTA 4427/4885 |
| US-20120214762-A1 | 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR | NFKB1, NFRKB, NFKBIA | PPARD 1480/4885TSHR 1966/4885FNTA 864/4885 |
| US-20120295856-A1 | FREDERICAMYCIN DERIVATIVES | NISCH, MYC, MANBA | PPARD 2687/4885TSHR 4691/4885FNTA 90/4885 |
| US-20030096875-A1 | Oxidized carotenoid fractions and ketoaldehyde useful as cell-differentiation inducers, cytostatic agents, and anti-tumor agents | HCCS, MKI67, ALDH1A2 | PPARD 754/4885TSHR 4378/4885FNTA 1501/4885 |
| US-20050256066-A1 | Water soluble groups on ring A; antitumor antibiotics; 1-Desoxy-5-C-[(8R)-4',9,9'-trihydroxy-6'-methoxy-1,1',3',5',8'-pentaoxo-1,1',2,3',5',6,7,8'-octahydrospiro[cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]-naphthalene]-3-yl]pentitol; topoisomerase inhibitors; cyclodextrin inclusions; stereoisomers | TOP1, TOP2A, TOP2B | PPARD 3968/4885TSHR 4289/4885FNTA 892/4885 |
| US-20150038460-A1 | 6,5-Heterocyclic Propargylic Alcohol Compounds and Uses Therefor | NFKB1, NFRKB, NFKBIA | PPARD 1480/4885TSHR 1966/4885FNTA 864/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.