Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 1/20 | 0.55 |
| ▸ | GABRD | O14764 | 1/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.55 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.55 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.55 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.55 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.55 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.55 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.55 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.55 |
| ▸ | GABRE | P78334 | 1/20 | 0.55 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.55 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.55 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.55 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.55 |
| ▸ | BRD4 | O60885 | 1/20 | 0.52 |
| ▸ | BRD2 | P25440 | 1/20 | 0.52 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.52 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9565431 | 1.00 | GABRP (0.55) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL9565435 | 1.00 | GABRP (0.55) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL9565446 | 0.78 | BRD4 (0.54) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL1810706 | 0.78 | BRD4 (0.54) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL2923672 | 0.71 | GABRA1 (1.00) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL2929181 | 0.71 | GABRA1 (1.00) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL1835654 | 0.71 | GABRA1 (1.00) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL9565461 | 0.70 | CCKBR (0.69) | BRD4BRD2BRD3CCKBRKCNH2 | |
| SCHEMBL9565459 | 0.70 | CCKBR (0.69) | BRD4BRD2BRD3CCKBRKCNH2 | |
| SCHEMBL9565462 | 0.70 | CCKBR (0.69) | BRD4BRD2BRD3CCKBRKCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0523846-A2 | 1,4-Benzodiazepines with 5-membered heterocyclic rings | MERCK & CO. INC. (US) | 1993-01-20 | — | — | EP | disclosed |
| EP-0272866-A1 | 1,4-Benzodiazepines with 5-membered heterocyclic rings | MERCK & CO. INC. (US) | 1988-06-29 | — | — | EP | disclosed |