Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 6/20 | 0.64 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.64 |
| ▸ | GABRA2 | P47869 | 6/20 | 0.64 |
| ▸ | BRD4 | O60885 | 6/20 | 0.64 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.64 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.64 |
| ▸ | HPGD | P15428 | 4/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | CNR1 | P21554 | 1/20 | 0.64 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11080578 | 0.87 | GABRA1 (0.65) | GABRA1GABRA5GABRA2BRD4GABRB2 | |
| SCHEMBL16962967 | 0.85 | BRD4 (0.62) | GABRA1GABRA5GABRA2BRD4GABRB2 | |
| SCHEMBL11078084 | 0.85 | GABRA1 (0.54) | GABRA1GABRA5GABRA2BRD4GABRB2 | |
| SCHEMBL16963499 | 0.84 | BRD4 (0.52) | GABRA1GABRA5GABRA2BRD4GABRB2 | |
| SCHEMBL16962317 | 0.81 | BRD4 (0.54) | BRD4HPGDLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL16962424 | 0.78 | BRD4 (0.56) | GABRA1GABRA5GABRA2BRD4GABRB2 | |
| Alprazolam SCHEMBL8398 | 0.78 | GABRA1 (1.00) | GABRA1GABRA5GABRA2BRD4GABRB2 | |
| Alprazolam SCHEMBL16922178 | 0.78 | GABRA1 (1.00) | GABRA1GABRA5GABRA2BRD4GABRB2 | |
| Alprazolam SCHEMBL5480614 | 0.78 | GABRA1 (1.00) | GABRA1GABRA5GABRA2BRD4GABRB2 | |
| Alprazolam SCHEMBL29381667 | 0.78 | GABRA1 (1.00) | GABRA1GABRA5GABRA2BRD4GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4464300-A | PSYCHOTROPIC, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1984-08-07 | — | — | US | disclosed |
| EP-0072029-A2 | Triazolobenzazepines, process and intermediates for their preparation and medicines containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-02-16 | — | — | EP | disclosed |