Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | ADK | P55263 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.46 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1923405 | 0.84 | NISCH (0.53) | NISCHKDM4EALDH1A1MTORADK | |
| SCHEMBL1719454 | 0.84 | NISCH (0.53) | NISCHKDM4EALDH1A1MTORADK | |
| SCHEMBL8541165 | 0.80 | NISCH (0.53) | NISCHKDM4EALDH1A1MTORADK | |
| SCHEMBL28829248 | 0.79 | NISCH (0.49) | NISCHKDM4EALDH1A1MTORADK | |
| SCHEMBL1688469 | 0.79 | NISCH (0.49) | NISCHKDM4EALDH1A1MTORADK | |
| SCHEMBL8536727 | 0.79 | ALDH1A1 (0.52) | NISCHKDM4EALDH1A1MTORADK | |
| SCHEMBL28067582 | 0.79 | NISCH (0.49) | NISCHKDM4EALDH1A1MTORADK | |
| SCHEMBL20667462 | 0.78 | ADORA2A (0.64) | KDM4EALDH1A1ESR2RIPK1ESR1 | |
| SCHEMBL5803059 | 0.76 | SMPD3 (0.69) | NISCHKDM4EALDH1A1RIPK1SMPD3 | |
| SCHEMBL6002654 | 0.76 | SMPD3 (0.56) | NISCHKDM4EALDH1A1MTORADK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0857171-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-08-12 | — | — | EP | disclosed |
| WO-1997015555-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-05-01 | — | — | WO | disclosed |