Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCKBR | P32239 | 4/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CCKAR | P32238 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRD2 | P25440 | 1/20 | 0.36 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9653373 | 0.96 | CCKBR (0.43) | CCKBRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL11262269 | 0.78 | CCKBR (0.40) | CCKBRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL9652997 | 0.78 | CCKBR (0.46) | CCKBRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL11251237 | 0.78 | CCKBR (0.40) | CCKBRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL11252263 | 0.78 | HTR2C (0.55) | CCKBRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL17083743 | 0.75 | SLC18A3 (0.39) | MEN1GAAKMT2A | |
| SCHEMBL9651608 | 0.74 | GABRA1 (0.45) | CCKBRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL10645066 | 0.73 | NOS1 (0.39) | CCKBRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL11151280 | 0.71 | GABRA1 (0.47) | CCKBRGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL11361720 | 0.71 | OPRK1 (0.36) | CCKBRGABRA1GABRG2GABRB3GABRA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0518484-A2 | 1,4-Benzodiazepines condesed with 5- and 6-membered heterocyclic rings to treat anxiety, pain, pupil constriction, withdrawal-syndrome or oncologic disorders | MERCK & CO. INC. (US) | 1992-12-16 | — | — | EP | disclosed |
| EP-0272865-A1 | 1,4-Benzodiazepines with 5-and 6-membered heterocyclic rings | MERCK & CO. INC. (US) | 1988-06-29 | — | — | EP | disclosed |
| US-4735941-A | 1,4-benzodiazepines with 5- and 6-membered heterocyclic rings, useful as gastrointestinal and CNS agents | MERCK & CO., INC. (US) | 1988-04-05 | — | — | US | disclosed |