Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.52 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.52 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.52 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.52 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.52 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.52 |
| ▸ | CCKBR | P32239 | 1/20 | 0.52 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11508149 | 0.83 | OPRK1 (0.62) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL9584023 | 0.77 | GABRA1 (0.36) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL9565432 | 0.76 | GABRA5 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL9565437 | 0.73 | GABRA1 (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL11879844 | 0.73 | GABRA1 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL6060113 | 0.73 | OPRK1 (0.72) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL10471698 | 0.73 | GABRA1 (0.53) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL7311260 | 0.71 | OPRK1 (0.56) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL25634870 | 0.70 | DNMT1 (0.40) | GABRG2GABRB3GABRA5SMN1; SMN2 | |
| SCHEMBL29920810 | 0.69 | GABRA1 (0.68) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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 |