Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PBK | Q96KB5 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | DBF4 | Q9UBU7 | 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 | |
|---|---|---|---|---|
| SCHEMBL21372855 | 0.88 | CYP3A4 (0.44) | ALDH1A1CYP3A4IDO1PBKLMNA | |
| SCHEMBL21373044 | 0.87 | MKNK1 (0.39) | CYP3A4IDO1PBKHTTCYP3A5 | |
| SCHEMBL21373009 | 0.87 | HTT (0.40) | CYP3A4IDO1NPC1RAB9APBK | |
| SCHEMBL21373095 | 0.86 | IDO1 (0.39) | CYP3A4IDO1PBK | |
| SCHEMBL21372902 | 0.86 | IDO1 (0.46) | CYP3A4IDO1LMNACYP3A5CDC7 | |
| SCHEMBL21372682 | 0.86 | IDO1 (0.52) | IDO1 | |
| SCHEMBL21372781 | 0.84 | IDO1 (0.42) | CYP3A4IDO1PBKCYP3A5 | |
| SCHEMBL21372864 | 0.83 | CYP3A4 (0.38) | ALDH1A1CYP3A4KMT2ANPC1RAB9A | |
| SCHEMBL21372804 | 0.83 | IDO1 (0.38) | CYP3A4IDO1PBKCYP3A5 | |
| SCHEMBL21372959 | 0.82 | CYP3A4 (0.38) | CYP3A4IDO1KMT2ANPC1RAB9A |
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 |