Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PBK | Q96KB5 | 4/20 | 0.37 |
| ▸ | CDC7 | O00311 | 4/20 | 0.37 |
| ▸ | DBF4 | Q9UBU7 | 4/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21373009 | 0.88 | HTT (0.40) | CYP3A4CYP3A5HPGDPBKIDO1 | |
| SCHEMBL21372664 | 0.88 | ALDH1A1 (0.47) | CYP3A4CYP3A5PBKCDC7DBF4 | |
| SCHEMBL21373044 | 0.88 | MKNK1 (0.39) | CYP3A4CYP3A5PBKCDC7DBF4 | |
| SCHEMBL21372715 | 0.85 | IDO1 (0.46) | CYP3A4CYP3A5PBKCDC7DBF4 | |
| SCHEMBL21373020 | 0.83 | IDO1 (0.38) | CYP3A4CYP3A5PBKIDO1LMNA | |
| SCHEMBL21372840 | 0.83 | IDO1 (0.57) | IDO1 | |
| SCHEMBL21372781 | 0.83 | IDO1 (0.42) | CYP3A4CYP3A5PBKIDO1 | |
| SCHEMBL21373095 | 0.83 | IDO1 (0.39) | CYP3A4PBKIDO1 | |
| SCHEMBL21372731 | 0.82 | EIF2AK2 (0.41) | CYP3A4PBKIDO1NOS1 | |
| SCHEMBL21372902 | 0.80 | IDO1 (0.46) | CYP3A4CYP3A5CDC7DBF4IDO1 |
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 |