Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 4/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.45 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.45 |
| ▸ | CCKBR | P32239 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | BRD2 | P25440 | 1/20 | 0.42 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8359232 | 0.77 | GABRA5 (0.49) | GABRA5GABRA2GABRB2GABRA1GABRA3 | |
| SCHEMBL7308537 | 0.75 | OPRK1 (0.61) | GABRA5GABRA2GABRB2GABRA1GABRA3 | |
| SCHEMBL9565463 | 0.74 | BRD4 (0.57) | GABRA5GABRA2GABRB2GABRA1GABRA3 | |
| SCHEMBL7307072 | 0.74 | OPRK1 (0.60) | GABRA5GABRA2GABRB2GABRA1GABRA3 | |
| SCHEMBL7303092 | 0.74 | OPRK1 (0.60) | GABRA5GABRA2GABRB2GABRA1GABRA3 | |
| SCHEMBL7320786 | 0.73 | OPRK1 (0.58) | GABRA5GABRA2GABRB2GABRA1GABRA3 | |
| SCHEMBL7311260 | 0.72 | OPRK1 (0.56) | GABRA5GABRA2GABRB2GABRA1GABRA3 | |
| SCHEMBL10469819 | 0.71 | GABRA1 (0.48) | GABRA5GABRA2GABRB2GABRA1GABRA3 | |
| SCHEMBL7324237 | 0.70 | BRD4 (0.81) | GABRA5GABRA2GABRB2GABRA1GABRA3 | |
| SCHEMBL9565437 | 0.69 | GABRA1 (0.54) | GABRA5GABRA2GABRB2GABRA1GABRA3 |
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 |