Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.46 |
| ▸ | DRD3 | P35462 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PLD2 | O14939 | 2/20 | 0.44 |
| ▸ | PLD1 | Q13393 | 2/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL652632 | 1.00 | DRD2 (0.46) | DRD2DRD3DRD4CHRM1KCNH2 | |
| SCHEMBL652357 | 0.91 | DRD2 (0.47) | DRD2DRD3DRD4CHRM1KCNH2 | |
| SCHEMBL656124 | 0.88 | SIGMAR1 (0.42) | OPRM1OPRL1HTR1A | |
| SCHEMBL653247 | 0.82 | ABCB1 (0.48) | DRD4CHRM1KCNH2HTR1ACHRM5 | |
| SCHEMBL653245 | 0.82 | ABCB1 (0.48) | DRD4CHRM1KCNH2HTR1ACHRM5 | |
| SCHEMBL652340 | 0.82 | SIGMAR1 (0.45) | HTR1A | |
| SCHEMBL652338 | 0.82 | SIGMAR1 (0.45) | HTR1A | |
| SCHEMBL653232 | 0.81 | SIGMAR1 (0.46) | DRD2DRD3DRD4KCNH2HTR1A | |
| SCHEMBL653234 | 0.81 | SIGMAR1 (0.46) | DRD2DRD3DRD4KCNH2HTR1A | |
| SCHEMBL655814 | 0.80 | SLC6A4 (0.42) | CYP2D6ADRA1DHTR1A |
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-2286811-A1 | Chemokine receptor antagonists and methods of use thereof | Millennium Pharmaceuticals, Inc. (US) | 2011-02-23 | — | — | EP | disclosed |