Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL841592 | 1.00 | TSHR (0.42) | TSHRALDH1A1TP53LMNAAOC3 | |
| SCHEMBL841318 | 0.86 | TSHR (0.39) | TSHRALDH1A1TP53LMNAAOC3 | |
| SCHEMBL18085361 | 0.86 | TSHR (0.39) | TSHRALDH1A1TP53LMNAAOC3 | |
| SCHEMBL841317 | 0.86 | TSHR (0.39) | TSHRALDH1A1TP53LMNAAOC3 | |
| SCHEMBL8378842 | 0.84 | SIGMAR1 (0.41) | TSHRALDH1A1AOC3MEN1KMT2A | |
| SCHEMBL13496943 | 0.84 | SIGMAR1 (0.41) | TSHRALDH1A1AOC3MEN1KMT2A | |
| SCHEMBL8293935 | 0.84 | SIGMAR1 (0.41) | TSHRALDH1A1AOC3MEN1KMT2A | |
| SCHEMBL475432 | 0.83 | EPHX1 (0.44) | TSHRALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL475431 | 0.83 | EPHX1 (0.44) | TSHRALDH1A1MEN1KMT2AL3MBTL1 | |
| SCHEMBL18109306 | 0.83 | CTSK (0.42) | TSHRALDH1A1SIGMAR1 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2782903-B1 | NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN | HOFFMANN LA ROCHE (CH) | 2016-04-06 | — | — | EP | disclosed |
| US-9173938-B2 | Combination of a purine-based CDK inhibitor with a tyrosine kinase inhibitor and use thereof in the treatment of proliferative disorders | CYCLACEL LIMITED (GB) | 2015-11-03 | — | — | US | disclosed |
| EP-2782903-A1 | NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN | F.HOFFMANN-LA ROCHE AG (CH) | 2014-10-01 | — | — | EP | disclosed |
| CN-103946213-A | Novel pyrrolidine derivatives as inhibitors of cathepsin | HOFFMANN LA ROCHE | 2014-07-23 | — | — | CN | disclosed |
| US-8729061-B2 | Pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-05-20 | — | — | US | disclosed |
| US-8592581-B2 | Trisubstituted purine derivatives | CYCLACEL LIMITED (GB) | 2013-11-26 | — | — | US | disclosed |
| CN-101679434-B | 2, 6, 9-substituted purine derivatives having anti proliferative properties | CYCLACEL LTD | 2013-09-25 | — | — | CN | disclosed |
| EP-2139893-B1 | 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES | CYCLACEL LTD (GB) | 2013-06-19 | — | — | EP | disclosed |
| US-20130137687-A1 | NOVEL PYRROLIDINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-05-30 | — | — | US | disclosed |
| WO-2013076063-A1 | NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF CATHEPSIN | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-30 | — | — | WO | disclosed |
| EP-2139893-A2 | 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES | Cyclacel Limited (GB) | 2010-01-06 | — | — | EP | disclosed |
| US-20090312571-A1 | PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES | VIROBAY, INC. (US) | 2009-12-17 | — | — | US | disclosed |
| WO-2009152474-A2 | PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES | VIROBAY, INC. (US) | 2009-12-17 | — | — | WO | disclosed |
| WO-2009114633-A1 | PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES | VIROBAY, INC. (US) | 2009-09-17 | — | — | WO | disclosed |
| US-20090234127-A1 | PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES | VIROBAY, INC. (US) | 2009-09-17 | — | — | US | disclosed |
| WO-2008122767-A2 | 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES | CYCLACEL LIMITED (GB) | 2008-10-16 | — | — | WO | disclosed |
| WO-2008122779-A1 | COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS | CYCLACEL LIMITED (GB) | 2008-10-16 | — | — | WO | disclosed |
| EP-1287006-B1 | ANTITUMORAL COMPOUNDS | PHARMA MAR SA (ES) | 2007-10-24 | — | — | EP | disclosed |
| US-7138547-B2 | Antitumoral compounds | PHARMA MAR, S.A. | 2006-11-21 | — | — | US | disclosed |
| US-20040048834-A1 | Antitumoral compounds | PHARMA MAR, S.A. (ES) | 2004-03-11 | — | — | 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-20040048834-A1 | Antitumoral compounds | HCCS, MSR1, SUCNR1 | TSHR 193/4885ALDH1A1 1235/4885TP53 201/4885 |
| US-20090234127-A1 | PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES | CTSS, CTSV, CTSE | TSHR 4253/4885ALDH1A1 802/4885TP53 3941/4885 |
| US-20130137687-A1 | NOVEL PYRROLIDINE DERIVATIVES | PYCR1, PRMT7, PRLHR | TSHR 1469/4885ALDH1A1 442/4885TP53 2980/4885 |
| US-20090312571-A1 | PROCESS FOR THE PREPARATION OF (3S)-3-AMINO-N-CYCLOPROPYL-2-HYDROXYALKANAMIDE DERIVATIVES | HCN3, NPEPPS, HACL2 | TSHR 4033/4885ALDH1A1 799/4885TP53 4855/4885 |
“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.