Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 9/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CDC7 | O00311 | 1/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | PRKACG | P22612 | 1/20 | 0.35 |
| ▸ | PRKACB | P22694 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL21372715 | 0.84 | IDO1 (0.46) | IDO1CYP3A4CDC7DBF4 | |
| SCHEMBL21372902 | 0.84 | IDO1 (0.46) | IDO1CYP3A4CDC7DBF4 | |
| SCHEMBL21372956 | 0.83 | IDO1 (0.47) | IDO1SIGMAR1CYP3A4NPC1RAB9A | |
| SCHEMBL21372683 | 0.80 | IDO1 (0.46) | IDO1NOS1CDC7DBF4MAPT | |
| SCHEMBL21373029 | 0.80 | IDO1 (0.39) | IDO1CYP3A4BRD4 | |
| SCHEMBL18226159 | 0.78 | CYP3A4 (0.46) | CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL18236822 | 0.78 | CYP3A4 (0.46) | CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL18226157 | 0.78 | CYP3A4 (0.46) | CYP3A4NPC1RAB9AMAPT | |
| SCHEMBL21373009 | 0.78 | HTT (0.40) | IDO1CYP3A4NPC1RAB9ABRD4 | |
| SCHEMBL21373095 | 0.77 | IDO1 (0.39) | IDO1CYP3A4 |
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 |