Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 4/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 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 | |
|---|---|---|---|---|
| SCHEMBL21961572 | 1.00 | SLC6A4 (0.50) | SLC6A4SLC6A3GRIN1GRIN2AGRIN2B | |
| SCHEMBL21964328 | 0.98 | SLC6A4 (0.47) | SLC6A4SLC6A3GRIN1GRIN2AGRIN2B | |
| SCHEMBL13107029 | 0.95 | ALDH1A1 (0.44) | SLC6A4SLC6A3GRIN1GRIN2AGRIN2B | |
| SCHEMBL1954322 | 0.91 | ALDH1A1 (0.47) | SLC6A4SLC6A3GRIN1GRIN2AGRIN2B | |
| SCHEMBL16513089 | 0.83 | CYP2C19 (0.46) | ALDH1A1HPGDCYP2A6CYP3A4CYP2C19 | |
| SCHEMBL28173324 | 0.83 | HTR3E (0.41) | SLC6A4SLC6A3GRIN1GRIN2AGRIN2B | |
| SCHEMBL29617031 | 0.82 | ALDH1A1 (0.39) | SLC6A4SLC6A3GRIN1GRIN2AGRIN2B | |
| SCHEMBL29617028 | 0.82 | ALDH1A1 (0.39) | SLC6A4SLC6A3GRIN1GRIN2AGRIN2B | |
| Hydrochloric Acid SCHEMBL28172451 | 0.81 | HTR3E (0.40) | SLC6A4SLC6A3GRIN1GRIN2AGRIN2B | |
| SCHEMBL22582661 | 0.80 | ADORA3 (0.45) | SLC6A3ALDH1A1SLC6A2HPGDCYP3A4 |
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-3643703-A1 | EP300/CREBBP INHIBITOR | Daiichi Sankyo Co., Ltd. (JP) | 2020-04-29 | — | — | EP | disclosed |