Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.48 |
| ▸ | CCKBR | P32239 | 1/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | RPA1 | P27694 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL29833338 | 0.87 | OPRK1 (0.55) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL11525787 | 0.87 | OPRK1 (0.55) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29832471 | 0.86 | CYP3A4 (0.41) | GABRA1GABRG2GABRB3GABRA5CCKBR | |
| Hydrochloric Acid SCHEMBL11527447 | 0.85 | OPRK1 (0.53) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29832917 | 0.81 | CYP3A4 (0.41) | GABRA1GABRG2GABRB3GABRA5CCKBR | |
| SCHEMBL29832937 | 0.78 | TDP1 (0.51) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL11525200 | 0.78 | OPRK1 (0.53) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL11526461 | 0.76 | OPRK1 (0.54) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL29832839 | 0.76 | GABRA1 (0.47) | GABRA1GABRG2GABRB3GABRA5CCKBR | |
| SCHEMBL29832348 | 0.76 | OPRK1 (0.45) | GABRA1GABRG2GABRB3GABRA5CCKBR |
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 |