Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12020309 | 1.00 | AKR1C1 (0.46) | AKR1C1CYP2D6LMNAHTTALOX15 | |
| SCHEMBL8105095 | 1.00 | AKR1C1 (0.46) | AKR1C1CYP2D6LMNAHTTALOX15 | |
| SCHEMBL9330568 | 0.89 | AKR1C1 (0.47) | AKR1C1CYP2D6LMNAHTTALOX15 | |
| SCHEMBL9330906 | 0.87 | AKR1C1 (0.50) | AKR1C1CYP2D6LMNAHTTALOX15 | |
| SCHEMBL5437376 | 0.84 | MAOB (0.47) | AKR1C1CYP2D6MAOB | |
| SCHEMBL11487632 | 0.84 | CYP2D6 (0.49) | CYP2D6 | |
| SCHEMBL4945226 | 0.84 | CCR2 (0.43) | — | |
| SCHEMBL11480274 | 0.84 | CYP2D6 (0.36) | CYP2D6LMNAHTT | |
| SCHEMBL28577843 | 0.79 | AKR1C1 (0.44) | AKR1C1LMNAHTTALOX15MAOB | |
| SCHEMBL21119266 | 0.78 | OPRM1 (0.42) | AKR1C1CYP2D6ALOX15MAOBOPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6124354-A | TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME | PHARMACIA & UPJOHN AB (SE) | 2000-09-26 | — | — | US | disclosed |
| EP-0923536-A1 | ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION | Pharmacia & Upjohn Aktiebolag (SE) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998004517-A1 | ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION | PHARMACIA & UPJOHN AB (SE) | 1998-02-05 | — | — | WO | disclosed |