Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | PBK | Q96KB5 | 4/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | CYP3A5 | P20815 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | BRAF | P15056 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21372959 | 0.85 | CYP3A4 (0.38) | CYP3A4PBKIDO1BRD4CYP3A5 | |
| SCHEMBL21372954 | 0.82 | MAPT (0.35) | CYP3A4PBKIDO1CYP3A5ALDH1A1 | |
| SCHEMBL21372807 | 0.81 | CYP3A4 (0.38) | CYP3A4PBKIDO1BRD4CYP3A5 | |
| SCHEMBL21372682 | 0.80 | IDO1 (0.52) | IDO1BRAF | |
| SCHEMBL21372864 | 0.80 | CYP3A4 (0.38) | CYP3A4PBKBRD4CYP3A5ALDH1A1 | |
| SCHEMBL21372804 | 0.80 | IDO1 (0.38) | CYP3A4PBKIDO1CYP3A5 | |
| SCHEMBL21372664 | 0.79 | ALDH1A1 (0.47) | CYP3A4PBKIDO1BRD4CYP3A5 | |
| SCHEMBL21373108 | 0.79 | IDO1 (0.40) | CYP3A4PBKIDO1BRD4CYP3A5 | |
| SCHEMBL21372709 | 0.78 | ALDH1A1 (0.39) | CYP3A4PBKIDO1BRD4CYP3A5 | |
| SCHEMBL18225792 | 0.78 | CYP3A4 (0.37) | CYP3A4PBKBRD4CYP3A5BRAF |
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-B1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | GILEAD SCIENCES INC (US) | 2019-09-25 | — | — | EP | claimed |
| EP-3294732-B1 | BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE | GILEAD SCIENCES INC (US) | 2019-09-25 | — | — | EP | disclosed |