Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PBK | Q96KB5 | 4/20 | 0.42 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PI4KA | P42356 | 2/20 | 0.37 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.37 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18248945 | 1.00 | PBK (0.42) | PBKBRD4ALDH1A1PI4KAPI4K2B | |
| SCHEMBL18248911 | 0.85 | PBK (0.41) | PBKBRD4ALDH1A1PI4KAPI4K2B | |
| SCHEMBL2005978 | 0.79 | PBK (0.50) | PBKBRD4ALDH1A1LRRK2CYP3A4 | |
| SCHEMBL18225726 | 0.79 | PBK (0.44) | PBKBRD4ALDH1A1PI4KAPI4K2B | |
| SCHEMBL18225866 | 0.78 | PBK (0.40) | PBKBRD4CYP3A4CYP3A5PRKACA | |
| SCHEMBL18226537 | 0.76 | AKT2 (0.41) | PBKBRD4LMNACYP3A4CYP3A5 | |
| SCHEMBL18248953 | 0.75 | HTR3E (0.44) | PBKBRD4ALDH1A1LMNACYP3A4 | |
| SCHEMBL2749580 | 0.74 | KDM5A (0.50) | PBKALDH1A1CYP3A4CYP3A5 | |
| SCHEMBL12653269 | 0.73 | PARP1 (0.38) | LMNAPDPK1 | |
| SCHEMBL12618985 | 0.73 | PARP1 (0.38) | LMNAPDPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3294732-A1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | Gilead Sciences, Inc. (US) | 2018-03-21 | — | — | EP | disclosed |
| WO-2016186967-A1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | GILEAD SCIENCES, INC. (US) | 2016-11-24 | — | — | WO | disclosed |
| WO-2016186967-A1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | GILEAD SCIENCES, INC. (US) | 2016-11-24 | — | — | WO | disclosed |