Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.44 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6262825 | 0.87 | CACNA2D1 (0.44) | CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6 | |
| SCHEMBL3444305 | 0.87 | CACNA2D1 (0.44) | CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6 | |
| SCHEMBL6262828 | 0.87 | CACNA2D1 (0.44) | CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6 | |
| SCHEMBL3444050 | 0.85 | CACNA2D1 (0.42) | CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6 | |
| SCHEMBL6265418 | 0.82 | CNR1 (0.41) | CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6 | |
| SCHEMBL6265419 | 0.82 | CNR1 (0.41) | CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6 | |
| SCHEMBL5411107 | 0.82 | CNR1 (0.41) | CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6 | |
| SCHEMBL3443970 | 0.81 | CTSS (0.47) | CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6 | |
| SCHEMBL3444754 | 0.79 | CNR1 (0.40) | CACNA2D1CACNA1BCACNB1CACNA1COPRM1 | |
| SCHEMBL3443966 | 0.74 | CACNA2D1 (0.40) | CACNA2D1CACNA1BCACNB1CACNA1CCYP2D6 |
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 |