Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | FABP4 | P15090 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11761156 | 0.91 | PTGS1 (0.47) | KDM4EPTGS1PTGS2FABP4RAB9A | |
| SCHEMBL11469421 | 0.84 | MAPT (0.43) | PTGS1PTGS2RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL11408123 | 0.84 | KDM4E (0.64) | KDM4EDRD2PTGS2PTGESALOX5 | |
| SCHEMBL11763324 | 0.81 | BCHE (0.43) | KDM4EDRD2FABP4RAB9ANOTUM | |
| SCHEMBL11762851 | 0.81 | KDM4E (0.57) | KDM4EDRD2PTGS2PTGESALOX5 | |
| SCHEMBL11443525 | 0.81 | KDM4E (0.56) | KDM4EDRD2PTGS2PTGESALOX5 | |
| Pirazolac SCHEMBL153631 | 0.81 | KDM4E (0.51) | KDM4EDRD2PTGS2PTGESALOX5 | |
| Pirazolac SCHEMBL10952997 | 0.80 | KDM4E (0.50) | KDM4EDRD2PTGS2PTGESALOX5 | |
| SCHEMBL11766518 | 0.78 | RAB9A (0.51) | RAB9ANOTUMSMN1; SMN2NPC1MAPT | |
| SCHEMBL11767431 | 0.78 | KDM4E (0.43) | KDM4EDRD2PTGESALOX5RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0022906-A1 | Process for the preparation of pyrazole derivatives | SCHERING AKTIENGESELLSCHAFT (DE) | 1981-01-28 | — | — | EP | claimed |
| US-20040242597-A1 | Combination | NYCOMED GMBH (DE) | 2004-12-02 | — | — | US | disclosed |
| EP-0022906-B1 | PROCESS FOR THE PREPARATION OF PYRAZOLE DERIVATIVES | SCHERING AKTIENGESELLSCHAFT (DE) | 1984-08-08 | — | — | EP | disclosed |
| EP-0022906-A1 | Process for the preparation of pyrazole derivatives | SCHERING AKTIENGESELLSCHAFT (DE) | 1981-01-28 | — | — | EP | disclosed |