Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8720915 | 0.77 | CYP17A1 (0.41) | CYP17A1CYP11B1CYP11B2CYP3A4CYP2A6 | |
| SCHEMBL27457704 | 0.76 | IDO1 (0.49) | CYP17A1CYP11B1CYP11B2CYP3A4CYP2A6 | |
| SCHEMBL8724216 | 0.74 | CYP11B1 (0.42) | CYP17A1CYP11B1CYP11B2CYP3A4CYP2A6 | |
| SCHEMBL8721417 | 0.72 | CYP11B1 (0.42) | CYP17A1CYP11B1CYP11B2GAA | |
| SCHEMBL8721409 | 0.72 | IDO1 (0.46) | CYP11B1CYP11B2CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL3787426 | 0.70 | LMNA (0.47) | CYP11B1CYP11B2CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL10614052 | 0.70 | NOTUM (0.47) | CYP3A4CYP2A6CYP2C9CYP2C19MAPK8 | |
| SCHEMBL8720894 | 0.70 | MAPK8 (0.33) | CYP3A4CYP2A6MAPK8MAPK10CYP1A2 | |
| SCHEMBL4236888 | 0.70 | CYP3A4 (0.53) | CYP11B1CYP11B2CYP3A4CYP2A6CYP2C9 | |
| SCHEMBL8721420 | 0.68 | CYP17A1 (0.40) | CYP17A1CYP11B1CYP11B2CYP3A4CYP2A6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998000430-A1 | IMIDAZOL DERIVATIVES USEFUL AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-01-08 | — | — | WO | disclosed |