Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | TYMP | P19971 | 2/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 2/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5944019 | 0.94 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19TYMPEPHX2 | |
| SCHEMBL31314878 | 0.94 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19TYMPEPHX2 | |
| SCHEMBL31314866 | 0.94 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19TYMPEPHX2 | |
| SCHEMBL1712103 | 0.88 | — | — | |
| SCHEMBL1305685 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL28137246 | 0.86 | CYP3A4 (0.33) | CYP2D6CYP3A4CYP2C19TYMP | |
| Hydrochloric Acid SCHEMBL28842337 | 0.86 | CYP3A4 (0.33) | CYP2D6CYP3A4CYP2C19TYMP | |
| SCHEMBL26729220 | 0.78 | — | — | |
| SCHEMBL8182747 | 0.76 | CYP2D6 (0.40) | CYP2D6CYP3A4CYP2C19TYMPEPHX2 | |
| SCHEMBL4739305 | 0.76 | CYP2D6 (0.37) | CYP2D6CYP3A4CYP2C19TYMPEPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005077463-A2 | LIGAND FOR A MONOAMINE RECEPTOR OR TRANSPORTER FOR TREATING ADDICTION OR DEPENDENCE | SEPRACOR INC. (US) | 2005-08-25 | — | — | WO | disclosed |
| EP-1318988-A2 | LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) | Sepracor, Inc. (US) | 2003-06-18 | — | — | EP | disclosed |
| WO-2002022572-A2 | LIGANDS FOR MONOAMINE RECEPTORS AND TRANSPORTERS, AND METHODS OF USE THEREOF (NEUROTRANSMISSION) | SEPRACOR, INC. (US) | 2002-03-21 | — | — | WO | disclosed |