Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 4/20 | 0.42 |
| ▸ | DBF4 | Q9UBU7 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21372715 | 0.88 | IDO1 (0.46) | IDO1CYP3A4CYP3A5CDC7DBF4 | |
| SCHEMBL21372664 | 0.86 | ALDH1A1 (0.47) | IDO1CYP3A4CYP3A5CDC7DBF4 | |
| SCHEMBL21373095 | 0.86 | IDO1 (0.39) | IDO1CYP3A4TDO2HTR3EHTR3B | |
| SCHEMBL21372682 | 0.85 | IDO1 (0.52) | IDO1TDO2BRAF | |
| SCHEMBL21372683 | 0.84 | IDO1 (0.46) | IDO1CDC7DBF4LMNAHTR3E | |
| SCHEMBL21372871 | 0.84 | IDO1 (0.47) | IDO1CYP3A4CDC7DBF4 | |
| SCHEMBL21372956 | 0.84 | IDO1 (0.47) | IDO1CYP3A4CYP3A5CDC7DBF4 | |
| SCHEMBL21373029 | 0.84 | IDO1 (0.39) | IDO1CYP3A4CYP3A5LMNATDO2 | |
| SCHEMBL21372781 | 0.84 | IDO1 (0.42) | IDO1CYP3A4CYP3A5TDO2BRAF | |
| SCHEMBL21372804 | 0.82 | IDO1 (0.38) | IDO1CYP3A4CYP3A5TDO2 |
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 |