Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 10/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 9/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
| ▸ | EBP | Q15125 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL206307 | 0.90 | OPRM1 (0.52) | OPRM1OPRL1CHRM4CCR2KCNH2 | |
| SCHEMBL208749 | 0.81 | CCR2 (0.45) | OPRM1OPRL1CHRM4CCR2KCNH2 | |
| SCHEMBL4084332 | 0.72 | OPRM1 (0.43) | OPRM1OPRL1CCR2KCNH2 | |
| SCHEMBL206892 | 0.72 | ALDH1A1 (0.48) | OPRM1OPRL1CYP3A4CYP2D6PKM | |
| SCHEMBL207055 | 0.70 | OPRM1 (0.57) | OPRM1OPRL1CCR2KCNH2SIGMAR1 | |
| SCHEMBL206135 | 0.69 | OPRM1 (0.62) | OPRM1OPRL1SMN1; SMN2 | |
| SCHEMBL207493 | 0.68 | TSHR (0.47) | OPRM1OPRL1CHRM4CYP3A4TSHR | |
| SCHEMBL207753 | 0.68 | OPRM1 (0.53) | OPRM1OPRL1SIGMAR1 | |
| SCHEMBL4072403 | 0.66 | HPGD (0.70) | TP53CYP3A4CYP2D6TSHRMAPK1 | |
| SCHEMBL3139132 | 0.65 | OPRL1 (0.61) | OPRM1OPRL1CHRM4OPRK1SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2007536323-A | — | — | 2007-12-13 | — | — | JP | claimed |
| EP-1745010-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-01-24 | — | — | EP | claimed |
| WO-2005110974-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | claimed |