Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTCH1 | P46531 | 9/20 | 0.50 |
| ▸ | NOTCH3 | Q9UM47 | 7/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.48 |
| ▸ | GABRP | O00591 | 1/20 | 0.48 |
| ▸ | GABRD | O14764 | 1/20 | 0.48 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.48 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.48 |
| ▸ | GABRE | P78334 | 1/20 | 0.48 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.48 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.48 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.48 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.48 |
| ▸ | RBPJ | Q06330 | 2/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9865175 | 1.00 | NOTCH1 (0.50) | NOTCH1NOTCH3GABRA1GABRA5GABRA3 | |
| SCHEMBL9865168 | 1.00 | NOTCH1 (0.50) | NOTCH1NOTCH3GABRA1GABRA5GABRA3 | |
| SCHEMBL15608401 | 0.88 | NOTCH1 (0.53) | NOTCH1NOTCH3GABRA1GABRA5GABRA3 | |
| SCHEMBL15608508 | 0.87 | NOTCH1 (0.54) | NOTCH1NOTCH3GABRA1GABRA5GABRA3 | |
| SCHEMBL15608509 | 0.87 | NOTCH1 (0.54) | NOTCH1NOTCH3GABRA1GABRA5GABRA3 | |
| SCHEMBL15629462 | 0.86 | NOTCH1 (0.54) | NOTCH1NOTCH3RBPJDAOMEN1 | |
| SCHEMBL15622551 | 0.86 | NOTCH1 (0.54) | NOTCH1NOTCH3RBPJDAOMEN1 | |
| SCHEMBL7544945 | 0.84 | CCKBR (0.41) | NOTCH1NOTCH3DAOCCKBR | |
| SCHEMBL7544940 | 0.84 | CCKBR (0.41) | NOTCH1NOTCH3DAOCCKBR | |
| SCHEMBL22455443 | 0.84 | NOTCH1 (0.45) | NOTCH1NOTCH3GABRA1GABRA5GABRA3 |
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-5004741-A | Cholecystokinin(CCK); Treating Disorders Of The Gastrointestinal Tract, Central Nervous System And Of The Appetite Of Animals | MERCK & CO., INC. (US) | 1991-04-02 | — | — | US | disclosed |
| US-4820834-A | Benzodiazepine analogs | MERCK & CO., INC. (US) | 1989-04-11 | — | — | US | disclosed |
| EP-0284256-A1 | Benzodiazepine analogs | MERCK & CO. INC. (US) | 1988-09-28 | — | — | EP | disclosed |