Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ACP3 | P15309 | 3/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15427996 | 0.82 | CYP2C19 (0.52) | CYP2C19CYP2C9CYP1A2ALDH1A1SLC6A4 | |
| SCHEMBL11742196 | 0.80 | CYP2C19 (0.50) | CYP2C19CYP2C9CYP1A2ALDH1A1SLC6A4 | |
| SCHEMBL20691826 | 0.80 | CYP1A2 (0.50) | CYP2C19CYP2C9CYP1A2ALDH1A1SLC6A4 | |
| SCHEMBL3246866 | 0.79 | ALDH1A1 (0.54) | CYP2C19CYP2C9CYP1A2ALDH1A1SLC6A4 | |
| SCHEMBL28140563 | 0.78 | CYP2C9 (0.52) | CYP2C19CYP2C9CYP1A2ALDH1A1SLC6A4 | |
| SCHEMBL28256864 | 0.77 | ALDH1A1 (0.56) | CYP2C19CYP2C9CYP1A2ALDH1A1SLC6A4 | |
| SCHEMBL7774238 | 0.76 | ALDH1A1 (0.60) | CYP2C19CYP2C9CYP1A2ALDH1A1SLC6A4 | |
| SCHEMBL264495 | 0.76 | ALDH1A1 (0.50) | CYP2C19CYP2C9CYP1A2ALDH1A1SLC6A4 | |
| SCHEMBL7453633 | 0.76 | ALDH1A1 (0.50) | CYP2C19CYP2C9CYP1A2ALDH1A1SLC6A4 | |
| SCHEMBL5010133 | 0.74 | SLC6A4 (0.58) | CYP2C19CYP2C9CYP1A2ALDH1A1SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6005116-A | HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA | SANKYO COMPANY, LIMITED (JP) | 1999-12-21 | — | — | US | disclosed |
| CN-1216986-A | Isoxazole derivatives | SANKYO CO (JP) | 1999-05-19 | — | — | CN | disclosed |
| EP-0885891-A1 | ISOXAZOLE DERIVATIVES | SANKYO COMPANY LIMITED (JP) | 1998-12-23 | — | — | EP | disclosed |