Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | PBK | Q96KB5 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL21372855 | 0.88 | CYP3A4 (0.44) | PBKHSD17B10CYP3A4CYP1A2HIF1A | |
| SCHEMBL21373044 | 0.87 | MKNK1 (0.39) | HTTPBKCYP3A4CYP3A5IDO1 | |
| SCHEMBL21372664 | 0.87 | ALDH1A1 (0.47) | HTTNPC1RAB9APBKHSD17B10 | |
| SCHEMBL21373095 | 0.81 | IDO1 (0.39) | PBKCYP3A4IDO1 | |
| SCHEMBL21372731 | 0.81 | EIF2AK2 (0.41) | NPC1RAB9APBKCYP3A4IDO1 | |
| SCHEMBL21372840 | 0.80 | IDO1 (0.57) | IDO1 | |
| SCHEMBL21372781 | 0.80 | IDO1 (0.42) | PBKCYP3A4CYP3A5IDO1 | |
| SCHEMBL21372902 | 0.79 | IDO1 (0.46) | CYP3A4CYP3A5IDO1 | |
| SCHEMBL21372715 | 0.79 | IDO1 (0.46) | PBKCYP3A4CYP3A5IDO1 | |
| SCHEMBL21372682 | 0.79 | IDO1 (0.52) | IDO1 |
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 |