Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL4726066 | 0.70 | CYP2D6 (0.43) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL15713294 | 0.70 | CYP2D6 (0.43) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL15713291 | 0.70 | CYP2D6 (0.43) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL2337932 | 0.65 | CYP2D6 (0.65) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| Hydrochloric Acid SCHEMBL2330314 | 0.63 | CYP2D6 (0.63) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL20690451 | 0.62 | CYP2D6 (0.61) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL19367661 | 0.62 | CYP2D6 (0.61) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL16269690 | 0.62 | CYP2D6 (0.46) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL11963748 | 0.62 | CYP2D6 (0.46) | CYP2D6MC4ROPRM1OPRD1OPRK1 | |
| SCHEMBL10565433 | 0.62 | CYP2D6 (0.55) | CYP2D6MC4ROPRM1OPRD1OPRK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008011483-A2 | METHODS FOR TREATING CHRONIC PAIN USING 1- (HETERO) ARYL-1-HYDROXY 2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS | ALLERGAN, INC. (US) | 2008-01-24 | — | — | WO | disclosed |