Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PBK | Q96KB5 | 4/20 | 0.41 |
| ▸ | BRD4 | O60885 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 2/20 | 0.36 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.36 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.36 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18248944 | 0.85 | PBK (0.42) | PBKBRD4ALDH1A1PI4KAPI4K2B | |
| SCHEMBL18248945 | 0.85 | PBK (0.42) | PBKBRD4ALDH1A1PI4KAPI4K2B | |
| SCHEMBL18225866 | 0.80 | PBK (0.40) | PBKBRD4CYP3A4CYP1A2HIF1A | |
| SCHEMBL2005978 | 0.78 | PBK (0.50) | PBKBRD4ALDH1A1LRRK2CYP3A4 | |
| SCHEMBL18225726 | 0.78 | PBK (0.44) | PBKBRD4ALDH1A1PI4KAPI4K2B | |
| SCHEMBL18226537 | 0.75 | AKT2 (0.41) | PBKBRD4LMNACYP3A4CYP3A5 | |
| SCHEMBL18225136 | 0.74 | PARP1 (0.37) | — | |
| SCHEMBL18249290 | 0.74 | CYP3A4 (0.45) | BRD4LMNALRRK2CYP3A4CYP3A5 | |
| SCHEMBL18248953 | 0.74 | HTR3E (0.44) | PBKBRD4ALDH1A1LMNACYP3A4 | |
| SCHEMBL18248929 | 0.73 | HTR3E (0.49) | BRD4ALDH1A1LMNALRRK2CYP3A4 |
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-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 |