Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11078084 | 0.84 | GABRA1 (0.54) | CHRM1OPRK1CYP3A4PDE4DSLC22A1 | |
| SCHEMBL11091497 | 0.82 | TDP1 (0.53) | CHRM1OPRK1CYP3A4PDE4DSLC22A1 | |
| SCHEMBL11077402 | 0.80 | CHRM1 (0.45) | CHRM1OPRK1CYP3A4PDE4DSLC22A1 | |
| SCHEMBL11081366 | 0.80 | CHRM1 (0.45) | CHRM1OPRK1CYP3A4PDE4DSLC22A1 | |
| SCHEMBL11087561 | 0.80 | CHRM1 (0.45) | CHRM1OPRK1CYP3A4PDE4DSLC22A1 | |
| SCHEMBL11088719 | 0.79 | CHRM1 (0.44) | CHRM1OPRK1CYP3A4PDE4DSLC22A1 | |
| SCHEMBL10923210 | 0.79 | CHRM1 (0.44) | CHRM1OPRK1CYP3A4PDE4DSLC22A1 | |
| SCHEMBL11088141 | 0.79 | CHRM1 (0.44) | CHRM1OPRK1CYP3A4PDE4DSLC22A1 | |
| Hydrochloric Acid SCHEMBL11082420 | 0.78 | CHRM1 (0.43) | CHRM1OPRK1CYP3A4PDE4DSLC22A1 | |
| Bromide SCHEMBL11082720 | 0.78 | CHRM1 (0.43) | CHRM1OPRK1CYP3A4PDE4DSLC22A1 |
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 |