Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.43 |
| ▸ | CCKBR | P32239 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.43 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11086081 | 0.83 | OPRK1 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL11834281 | 0.81 | GABRA1 (0.40) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL10469905 | 0.77 | IDO1 (0.51) | IDO1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL28297205 | 0.77 | IDO1 (0.51) | IDO1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL7312843 | 0.76 | IDO1 (0.47) | IDO1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL11382448 | 0.73 | IDO1 (0.47) | IDO1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL10965471 | 0.73 | IDO1 (0.47) | IDO1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL27926926 | 0.73 | IDO1 (0.47) | IDO1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL18977949 | 0.72 | IDO1 (0.69) | IDO1GSK3BL3MBTL1LMNAGAA | |
| SCHEMBL7307922 | 0.72 | IDO1 (0.43) | IDO1GABRA1GABRG2GABRB3GABRA5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4427590-A | Triazolobenzodiazepine derivatives | CIBA-GEIGY CORPORATION (US) | 1984-01-24 | — | — | US | disclosed |
| US-4017492-A | As-triazinobenzodiazepin-1-ones | THE UPJOHN COMPANY (US) | 1977-04-12 | — | — | US | disclosed |
| US-3946032-A | Acetal derivatives of 6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-carboxaldehyde | CIBA-GEIGY CORPORATION (US) | 1976-03-23 | — | — | US | disclosed |