Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29500932 | 0.88 | CYP1A2 (0.44) | CYP11B2OPRK1PDE4DALDH1A1CYP11B1 | |
| SCHEMBL11778334 | 0.83 | CYP11B2 (0.54) | CYP11B2OPRK1PDE4DALDH1A1CYP11B1 | |
| SCHEMBL21061364 | 0.80 | CYP11B2 (0.45) | CYP11B2OPRK1PDE4DALDH1A1CYP11B1 | |
| SCHEMBL2340498 | 0.79 | AVPR1A (0.38) | CYP11B2OPRK1PDE4DALDH1A1CYP11B1 | |
| SCHEMBL5278269 | 0.79 | AVPR1A (0.38) | CYP11B2OPRK1PDE4DALDH1A1CYP11B1 | |
| Hydrochloric Acid SCHEMBL5277480 | 0.78 | AVPR1A (0.38) | CYP11B2OPRK1PDE4DALDH1A1CYP11B1 | |
| SCHEMBL29500960 | 0.76 | CYP11B2 (0.36) | CYP11B2OPRK1PDE4DALDH1A1CYP11B1 | |
| SCHEMBL21061622 | 0.76 | AADAT (0.40) | CYP11B2OPRK1PDE4DALDH1A1CYP11B1 | |
| SCHEMBL29848695 | 0.73 | AVPR1A (0.43) | CYP11B2OPRK1PDE4DALDH1A1CYP11B1 | |
| SCHEMBL2359604 | 0.73 | NAMPT (0.40) | CYP11B2OPRK1PDE4DALDH1A1CYP11B1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0406719-A1 | 4h-indolo(1,2-d)(1,2,4)triazolo (4,3-a)(1,4)benzodiazepines, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-01-09 | — | — | EP | disclosed |