Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 12/20 | 0.73 |
| ▸ | OPRM1 | P35372 | 11/20 | 0.73 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5167184 | 0.99 | OPRL1 (0.72) | OPRL1OPRM1SIGMAR1HPGDHTT | |
| SCHEMBL4856560 | 0.90 | OPRL1 (0.62) | OPRL1OPRM1SIGMAR1HPGDHTT | |
| Hydrochloric Acid SCHEMBL4850710 | 0.89 | OPRL1 (0.61) | OPRL1OPRM1SIGMAR1HPGDHTT | |
| SCHEMBL5340673 | 0.87 | OPRL1 (0.63) | OPRL1OPRM1SIGMAR1HTTNPY5R | |
| SCHEMBL4852338 | 0.87 | OPRL1 (0.58) | OPRL1OPRM1SIGMAR1NPY5R | |
| SCHEMBL4849056 | 0.86 | OPRL1 (0.64) | OPRL1OPRM1HPGDHTTRECQL | |
| SCHEMBL5165672 | 0.86 | SIGMAR1 (0.65) | OPRL1OPRM1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL5336638 | 0.86 | OPRL1 (0.62) | OPRL1OPRM1SIGMAR1HTTNPY5R | |
| Hydrochloric Acid SCHEMBL4850695 | 0.86 | OPRL1 (0.65) | OPRL1OPRM1HPGDHTTRECQL | |
| Hydrochloric Acid SCHEMBL5165735 | 0.86 | SIGMAR1 (0.64) | OPRL1OPRM1SIGMAR1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1392641-B1 | SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-04-11 | — | — | EP | claimed |
| EP-1392641-A1 | SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2004-03-03 | — | — | EP | claimed |
| WO-2002090317-A1 | SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2002-11-14 | — | — | WO | claimed |
| EP-1392641-B1 | SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-04-11 | — | — | EP | disclosed |
| EP-1392641-A1 | SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2004-03-03 | — | — | EP | disclosed |
| EP-1385493-A1 | SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES | Grünenthal GmbH (DE) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002090317-A1 | SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2002-11-14 | — | — | WO | disclosed |
| WO-2002089783-A1 | SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES | Grünenthal GmbH (DE) | 2002-11-14 | — | — | WO | disclosed |