Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9618251 | 0.95 | AKR1C1 (0.52) | AKR1C1OPRM1DPP4HDAC4 | |
| SCHEMBL2857850 | 0.89 | OPRM1 (0.45) | AKR1C1OPRM1OPRK1OPRL1DPP4 | |
| SCHEMBL15352663 | 0.83 | AKR1C1 (0.47) | AKR1C1DPP4HDAC4 | |
| SCHEMBL16880433 | 0.80 | OPRM1 (0.39) | AKR1C1OPRM1OPRK1OPRL1 | |
| SCHEMBL1724862 | 0.79 | OPRL1 (0.57) | AKR1C1OPRM1OPRK1OPRL1HSD11B1 | |
| Ammonia Solution, Strong SCHEMBL29195223 | 0.77 | OPRL1 (0.55) | AKR1C1OPRM1OPRK1OPRL1HSD11B1 | |
| SCHEMBL9338509 | 0.77 | DPP4 (0.34) | AKR1C1OPRM1OPRK1OPRL1DPP4 | |
| SCHEMBL11582057 | 0.75 | AKR1C1 (0.43) | AKR1C1OPRM1OPRK1OPRL1DPP4 | |
| SCHEMBL9022765 | 0.75 | OPRL1 (0.48) | AKR1C1OPRM1OPRK1OPRL1HSD11B1 | |
| SCHEMBL150238 | 0.75 | OPRL1 (0.44) | AKR1C1OPRM1OPRK1OPRL1 |
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-0540108-B1 | Catalyst composition | SHELL INT RESEARCH (NL) | 1996-01-03 | — | — | EP | disclosed |
| US-5279999-A | Catalyst composition | SHELL OIL COMPANY (US) | 1994-01-18 | — | — | US | disclosed |
| EP-0540108-A1 | Catalyst composition | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-05-05 | — | — | EP | disclosed |