Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.37 |
| ▸ | PBK | Q96KB5 | 4/20 | 0.34 |
| ▸ | CDC7 | O00311 | 4/20 | 0.34 |
| ▸ | DBF4 | Q9UBU7 | 4/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | ACP1 | P24666 | 1/20 | 0.32 |
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 | 0.90 | CYP3A4 (0.38) | CYP3A4BRD4CYP3A5PBKCDC7 | |
| SCHEMBL21372858 | 0.84 | ALDH1A1 (0.39) | CYP3A4BRD4ALDH1A1CYP3A5PBK | |
| SCHEMBL21372664 | 0.83 | ALDH1A1 (0.47) | CYP3A4BRD4ALDH1A1CYP3A5PBK | |
| SCHEMBL21372902 | 0.82 | IDO1 (0.46) | CYP3A4CYP3A5CDC7DBF4TMIGD3 | |
| SCHEMBL21373095 | 0.82 | IDO1 (0.39) | CYP3A4PBK | |
| SCHEMBL21372709 | 0.82 | ALDH1A1 (0.39) | CYP3A4BRD4ALDH1A1CYP3A5PBK | |
| SCHEMBL21372954 | 0.82 | MAPT (0.35) | CYP3A4ALDH1A1CYP3A5PBK | |
| SCHEMBL21372781 | 0.81 | IDO1 (0.42) | CYP3A4CYP3A5PBK | |
| SCHEMBL21372834 | 0.80 | CYP3A4 (0.35) | CYP3A4BRD4ALDH1A1CYP3A5PBK | |
| SCHEMBL21372804 | 0.79 | IDO1 (0.38) | CYP3A4CYP3A5PBK |
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 |
|---|---|---|---|---|---|---|---|
| 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 |