Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 4/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.42 |
| ▸ | GFER | P55789 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 7/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL206795 | 0.90 | OPRM1 (0.52) | OPRM1OPRL1GFERNPSR1GAA | |
| SCHEMBL206667 | 0.78 | NPSR1 (0.42) | GFERNPSR1GAAMAPTLMNA | |
| SCHEMBL206791 | 0.70 | OPRM1 (0.62) | OPRM1OPRL1HPGD | |
| SCHEMBL207976 | 0.69 | OPRM1 (0.60) | OPRM1OPRL1TP53 | |
| SCHEMBL207397 | 0.68 | OPRM1 (0.56) | OPRM1OPRL1NPSR1MAPTALDH1A1 | |
| SCHEMBL208501 | 0.67 | OPRM1 (0.60) | OPRM1OPRL1NPC1ALDH1A1HPGD | |
| SCHEMBL207055 | 0.67 | OPRM1 (0.57) | OPRM1OPRL1NPSR1HTT | |
| SCHEMBL11661392 | 0.67 | GFER (0.75) | GFERNPC1GAAMAPTLMNA | |
| SCHEMBL2974572 | 0.66 | OPRM1 (0.64) | OPRM1OPRL1MAPTSMN1; SMN2KMT2A | |
| SCHEMBL9060635 | 0.66 | GFER (0.57) | GFERNPC1NPSR1GAAMAPT |
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 |