Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 7/20 | 0.54 |
| ▸ | OPRL1 | P41146 | 7/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5165622 | 0.99 | OPRM1 (0.52) | OPRM1OPRL1SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL3409128 | 0.81 | OPRM1 (0.67) | OPRM1OPRL1SLC6A4SLC6A3MEN1 | |
| SCHEMBL5166902 | 0.80 | OPRM1 (0.48) | OPRM1OPRL1SLC6A4 | |
| SCHEMBL5166917 | 0.80 | OPRL1 (0.51) | OPRM1OPRL1SLC6A4KMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL5165321 | 0.79 | OPRM1 (0.47) | OPRM1OPRL1 | |
| Hydrochloric Acid SCHEMBL5163924 | 0.79 | OPRL1 (0.50) | OPRM1OPRL1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL20866603 | 0.78 | OPRL1 (0.59) | OPRM1OPRL1SLC6A3SLC6A2 | |
| SCHEMBL4076511 | 0.78 | OPRL1 (0.59) | OPRM1OPRL1SLC6A4SLC6A3SLC6A2 | |
| SCHEMBL5164120 | 0.77 | OPRL1 (0.60) | OPRM1OPRL1 | |
| Hydrochloric Acid SCHEMBL5165769 | 0.76 | OPRL1 (0.61) | OPRM1OPRL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1392641-B1 | SUBSTITUTED CYCLOHEXANE-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-04-11 | — | — | EP | claimed |
| EP-1385493-A1 | SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES | Grünenthal GmbH (DE) | 2004-02-04 | — | — | EP | disclosed |
| WO-2002089783-A1 | SUBSTITUTED CYCLOHEXAN-1,4-DIAMINE DERIVATIVES WITH CONSTIPATING AND PERIPHERAL ANALGESIC PROPERTIES | Grünenthal GmbH (DE) | 2002-11-14 | — | — | WO | disclosed |