Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | IMPDH2 | P12268 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8698613 | 1.00 | PTGS2 (0.42) | PTGS2OPRD1SMN1; SMN2USP2CYP3A4 | |
| SCHEMBL8703577 | 0.80 | OPRD1 (0.44) | OPRD1SMN1; SMN2USP2CYP3A4MAPK1 | |
| SCHEMBL8699544 | 0.80 | OPRD1 (0.44) | OPRD1SMN1; SMN2USP2CYP3A4MAPK1 | |
| SCHEMBL8704515 | 0.79 | PTGS2 (0.45) | PTGS2SMN1; SMN2MAPK1PTPN1 | |
| SCHEMBL8699343 | 0.77 | ALOX5 (0.50) | PTGS2OPRD1USP2CYP3A4ABCB1 | |
| SCHEMBL8700700 | 0.76 | PTGS2 (0.45) | PTGS2CYP3A4ABCB1 | |
| SCHEMBL8700702 | 0.76 | PTGS2 (0.45) | PTGS2CYP3A4ABCB1 | |
| SCHEMBL8698192 | 0.75 | ERN1 (0.44) | OPRD1SMN1; SMN2USP2CYP3A4MAPK1 | |
| SCHEMBL8698195 | 0.75 | ERN1 (0.44) | OPRD1SMN1; SMN2USP2CYP3A4MAPK1 | |
| SCHEMBL8701060 | 0.72 | ALDH1A1 (0.42) | PTGS2SMN1; SMN2CYP3A4ABCB1 |
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-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | disclosed |