Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | ADH5 | P11766 | 4/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | FLT1 | P17948 | 2/20 | 0.33 |
| ▸ | FLT4 | P35916 | 2/20 | 0.33 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.33 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.33 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.33 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.33 |
| ▸ | TEK | Q02763 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8721417 | 0.79 | CYP11B1 (0.42) | CYP17A1CYP11B1CYP11B2ADH5 | |
| SCHEMBL8724113 | 0.77 | CYP17A1 (0.42) | CYP17A1CYP11B1CYP11B2CYP2A6CYP3A4 | |
| SCHEMBL8722162 | 0.72 | PKM (0.36) | CYP3A4CYP2C19CYP2C9LMNACYP1A2 | |
| SCHEMBL27457704 | 0.71 | IDO1 (0.49) | CYP17A1CYP11B1CYP11B2CYP2A6CYP3A4 | |
| SCHEMBL4236888 | 0.66 | CYP3A4 (0.53) | CYP11B1CYP11B2ADH5CYP2A6CYP3A4 | |
| SCHEMBL8721420 | 0.64 | CYP17A1 (0.40) | CYP17A1CYP11B1CYP11B2CYP2A6CYP3A4 | |
| SCHEMBL29241982 | 0.61 | CYP3A4 (0.42) | CYP11B1CYP11B2CYP2A6CYP3A4CYP2C19 | |
| SCHEMBL8724176 | 0.61 | CYP1A2 (0.38) | CYP11B1CYP11B2ADH5CYP3A4CYP2C19 | |
| SCHEMBL14307267 | 0.60 | CYP3A4 (0.46) | CYP11B1CYP11B2CYP2A6CYP3A4CYP2C19 | |
| SCHEMBL18770412 | 0.58 | CYP17A1 (1.00) | CYP17A1CYP11B1CYP11B2CYP3A4MAPT |
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 |