Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 5/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | CCR8 | P51685 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.38 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.37 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.37 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.37 |
| ▸ | PDE8A | O60658 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.35 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 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 | |
|---|---|---|---|---|
| SCHEMBL900105 | 0.75 | CYP17A1 (0.73) | CYP17A1CYP1A2 | |
| SCHEMBL900497 | 0.71 | CYP17A1 (1.00) | CYP17A1CYP1A2 | |
| SCHEMBL903225 | 0.69 | CYP17A1 (0.70) | CYP17A1CYP1A2PDE10A | |
| SCHEMBL903217 | 0.68 | CYP17A1 (1.00) | CYP17A1CYP1A2METAP2 | |
| SCHEMBL900104 | 0.68 | CYP17A1 (1.00) | CYP17A1CYP1A2METAP2 | |
| SCHEMBL30119632 | 0.68 | CYP17A1 (0.60) | CYP17A1CYP1A2L3MBTL1YTHDC1 | |
| SCHEMBL28634932 | 0.68 | CYP17A1 (0.48) | CYP17A1CYP1A2METAP2 | |
| SCHEMBL20216043 | 0.67 | P2RX7 (0.60) | CYP1A2CCR1CCR5CCR8P2RX7 | |
| SCHEMBL903166 | 0.67 | CYP17A1 (0.53) | CYP17A1CYP1A2 | |
| SCHEMBL900219 | 0.67 | CYP17A1 (0.71) | CYP17A1CYP1A2 |
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-2621913-A1 | SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS | Bristol-Myers Squibb Company (US) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012044537-A1 | SUBSTITUTED BENZIMIDAZOLE AND IMIDAZOPYRIDINE COMPOUNDS USEFUL AS CYP17 MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |