Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 8/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 8/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL206846 | 0.87 | OPRM1 (0.47) | OPRM1OPRL1ALDH1A1KMT2ASIGMAR1 | |
| SCHEMBL204689 | 0.84 | POLB (0.51) | OPRM1OPRL1ALDH1A1HTTKMT2A | |
| SCHEMBL4073137 | 0.84 | OPRM1 (0.43) | OPRM1OPRL1ALDH1A1RAB9ANPC1 | |
| SCHEMBL4074077 | 0.84 | OPRM1 (0.51) | OPRM1OPRL1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL4074080 | 0.84 | OPRM1 (0.51) | OPRM1OPRL1RAB9ANPC1SIGMAR1 | |
| SCHEMBL4079677 | 0.81 | OPRM1 (0.47) | OPRM1OPRL1RAB9ANPC1 | |
| SCHEMBL4046091 | 0.79 | ACKR3 (0.50) | OPRM1OPRL1ALDH1A1KMT2A | |
| SCHEMBL4081501 | 0.79 | EPHX2 (0.44) | OPRM1OPRL1KMT2A | |
| SCHEMBL208376 | 0.78 | OPRM1 (0.44) | OPRM1OPRL1ALDH1A1RAB9ANPC1 | |
| SCHEMBL206898 | 0.78 | OPRM1 (0.60) | OPRM1OPRL1NPC1CYP2C19 |
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-1745010-B1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-08-05 | — | — | EP | claimed |