Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 12/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 11/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 11/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 11/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.38 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9359082 | 0.81 | NPSR1 (0.57) | OPRM1OPRD1OPRK1OPRL1NPSR1 | |
| Hydrochloric Acid SCHEMBL9760815 | 0.80 | NPSR1 (0.56) | OPRM1OPRD1OPRK1OPRL1NPSR1 | |
| Hydrochloric Acid SCHEMBL15879360 | 0.80 | NPSR1 (0.56) | OPRM1OPRD1OPRK1OPRL1NPSR1 | |
| SCHEMBL10047375 | 0.67 | NPSR1 (0.61) | OPRM1OPRD1OPRK1OPRL1NPSR1 | |
| SCHEMBL6546913 | 0.66 | TYR (0.43) | OPRK1CACNA1CCYP3A4CYP2D6CYP1A2 | |
| SCHEMBL8963742 | 0.65 | MEN1 (0.51) | OPRM1OPRD1OPRK1CYP2D6MEN1 | |
| Isopropylbenzene SCHEMBL10375180 | 0.64 | CYP3A4 (0.40) | OPRK1CACNA1CCYP3A4CYP2D6CYP1A2 | |
| SCHEMBL8938349 | 0.64 | CYP2C9 (0.49) | CYP3A4CYP1A2CYP2C9ADRA2ASLC6A3 | |
| SCHEMBL15797515 | 0.64 | NPSR1 (0.57) | OPRM1OPRD1OPRK1OPRL1NPSR1 | |
| SCHEMBL71724 | 0.64 | NPSR1 (0.57) | OPRM1OPRD1OPRK1OPRL1NPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1954277-A2 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | Vertex Pharmceuticals Incorporated (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007056221-A2 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-05-18 | — | — | WO | disclosed |