Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 10/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.50 |
| ▸ | PLK4 | O00444 | 1/20 | 0.46 |
| ▸ | PAK4 | O96013 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1286635 | 0.81 | KDM4E (0.51) | ALDH1A1KDM4EUSP2CYP1A2TSHR | |
| SCHEMBL30945083 | 0.77 | ROCK2 (0.50) | ROCK2ROCK1ALDH1A1KDM4EHRH1 | |
| Hydrochloric Acid SCHEMBL6017462 | 0.76 | ROCK2 (0.49) | ROCK2ROCK1ALDH1A1KDM4EHRH1 | |
| SCHEMBL7311364 | 0.73 | ALDH1A1 (0.47) | ALDH1A1KDM4EHRH1USP2SMN1; SMN2 | |
| SCHEMBL3590138 | 0.72 | PDGFRB (0.62) | — | |
| SCHEMBL11078075 | 0.72 | KDM4E (0.54) | ALDH1A1KDM4ETAAR1ADRB1 | |
| SCHEMBL30945067 | 0.72 | ROCK2 (0.58) | ROCK2ROCK1HRH1USP2SMN1; SMN2 | |
| SCHEMBL28710773 | 0.71 | HRH1 (0.61) | ALDH1A1KDM4EHRH1USP2SMN1; SMN2 | |
| SCHEMBL1029333 | 0.71 | HTR3A (0.67) | ALDH1A1KDM4EUSP2TDP1TAAR1 | |
| SCHEMBL291823 | 0.71 | ALDH1A1 (0.49) | ALDH1A1KDM4EHRH1USP2SMN1; SMN2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8076338-B2 | Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation | EXELIXIS, INC. (US) | 2011-12-13 | — | — | US | disclosed |
| US-RE35072-E | Cardiotonic agents and antiarrhythmic agents | ORTHO PHARMACEUTICAL CORPORATION (US) | 1995-10-24 | — | — | US | disclosed |
| US-5001127-A | 4-substituted pyrazolo[3,4-d]pyrimidine derivatives | ORTHO PHARMACEUTICAL CORPORATION (US) | 1991-03-19 | — | — | US | disclosed |
| US-4885300-A | CARDIOTONIC AND ANTIARRHYTHMIA AGENTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-12-05 | — | — | US | disclosed |
| EP-0331510-A2 | 4-Substituted pyrazolo[3,4-d]pyrimidine derivatives | ORTHO PHARMACEUTICAL CORPORATION (US) | 1989-09-06 | — | — | EP | disclosed |