Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.46 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | EDNRB | P24530 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18901487 | 0.87 | CES1 (0.44) | CES1KCNN4CYP2C19HIF1ACHRM2 | |
| SCHEMBL7495006 | 0.86 | KCNN4 (0.42) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL6529359 | 0.85 | MAPT (0.48) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL10456740 | 0.84 | CES1 (0.59) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL3363882 | 0.83 | CES1 (0.44) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL28753479 | 0.83 | CES1 (0.44) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL17653674 | 0.83 | CYP2D6 (0.43) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL6387363 | 0.83 | CYP2C19 (0.53) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL17653676 | 0.83 | CYP2D6 (0.43) | CES1KCNN4CYP2C19HIF1ACYP1A2 | |
| SCHEMBL7924474 | 0.83 | CES1 (0.44) | CES1KCNN4CYP2C19HIF1ACYP1A2 |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2445891-A1 | 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS | Glaxo Group Limited (GB) | 2012-05-02 | — | — | EP | claimed |
| WO-2010148649-A1 | 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2010-12-29 | — | — | WO | claimed |
| US-7271195-B2 | Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease | KALYPSYS, INC. (US) | 2007-09-18 | — | — | US | claimed |
| EP-1635800-A2 | CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE | Kalypsys, Inc. (US) | 2006-03-22 | — | — | EP | claimed |
| US-20050026907-A1 | Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease | KALYPSYS, INC. (US) | 2005-02-03 | — | — | US | claimed |
| WO-2004110418-A2 | CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2004-12-23 | — | — | WO | claimed |
| US-10246426-B2 | Triazole compounds as T-type calcium channel blockers | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-04-02 | — | — | US | disclosed |
| EP-3194374-A1 | TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS | Idorsia Pharmaceuticals Ltd (CH) | 2017-07-26 | — | — | EP | disclosed |
| WO-2016041892-A1 | TRIAZOLE COMPOUNDS AS T-TYPE CALCIUM CHANNEL BLOCKERS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-03-24 | — | — | WO | disclosed |
| EP-2445891-A1 | 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS | Glaxo Group Limited (GB) | 2012-05-02 | — | — | EP | disclosed |
| WO-2010148649-A1 | 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2010-12-29 | — | — | WO | disclosed |
| US-7470722-B2 | Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease | KALYPSYS, INC. (US) | 2008-12-30 | — | — | US | disclosed |
| EP-1959967-A2 | INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE | Kalypsys, Inc. (US) | 2008-08-27 | — | — | EP | disclosed |
| US-20060030543-A1 | Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease | KALYPSYS, INC. | 2006-02-09 | — | — | US | disclosed |
| US-20060030554-A1 | Novel sulfonamides as inhibitors of histone deacetylase for the treatment of disease | KALYPSYS, INC. | 2006-02-09 | — | — | US | disclosed |
| WO-2005123089-A2 | MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2005-12-29 | — | — | WO | disclosed |
| WO-2005120515-A2 | NOVEL SULFONAMIDES AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2005-12-22 | — | — | WO | disclosed |
| US-20050026907-A1 | Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease | KALYPSYS, INC. (US) | 2005-02-03 | — | — | US | disclosed |
| WO-2004110418-A2 | CARBONYL COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE | KALYPSYS, INC. (US) | 2004-12-23 | — | — | WO | disclosed |
| US-5028720-A | 6,7-nonsubstituted and 6,7-disubstituted-3,4-dihydroxy benzopyran-2H-one compounds having antiaggregatory properties and processes for their preparation | OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1991-07-02 | — | — | 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 (4 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-20060030543-A1 | Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease | HDAC6, HDAC3, HDAC5 | CES1 2599/4885KCNN4 4581/4885CYP2C19 4642/4885 |
| US-10246426-B2 | Triazole compounds as T-type calcium channel blockers | CACNA1I, CACNA1E, CACNA1G | CES1 2107/4885KCNN4 14/4885CYP2C19 533/4885 |
| US-20050026907-A1 | Carbonyl compounds as inhibitors of histone deacetylase for the treatment of disease | HDAC6, HDAC5, HDAC1 | CES1 3194/4885KCNN4 3845/4885CYP2C19 3460/4885 |
| US-20060030554-A1 | Novel sulfonamides as inhibitors of histone deacetylase for the treatment of disease | HDAC6, HDAC3, HDAC5 | CES1 1212/4885KCNN4 4298/4885CYP2C19 3729/4885 |
“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.