Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9325449 | 1.00 | CYP1A2 (0.34) | CYP1A2OPRL1OPRM1OPRK1HSD11B1 | |
| SCHEMBL9325462 | 1.00 | CYP1A2 (0.34) | CYP1A2OPRL1OPRM1OPRK1HSD11B1 | |
| SCHEMBL9325457 | 1.00 | CYP1A2 (0.34) | CYP1A2OPRL1OPRM1OPRK1HSD11B1 | |
| SCHEMBL9326617 | 0.90 | CYP1A2 (0.48) | CYP1A2 | |
| SCHEMBL9326625 | 0.90 | CYP1A2 (0.48) | CYP1A2 | |
| SCHEMBL9326620 | 0.90 | CYP1A2 (0.48) | CYP1A2 | |
| SCHEMBL9152948 | 0.89 | CYP1A2 (0.43) | CYP1A2 | |
| SCHEMBL9152965 | 0.89 | CYP1A2 (0.43) | CYP1A2 | |
| SCHEMBL9152957 | 0.89 | CYP1A2 (0.43) | CYP1A2 | |
| SCHEMBL9327853 | 0.87 | MEN1 (0.42) | CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0240320-B1 | PHENYLPYRIDINE DERIVATIVES | Chisso Corporation (JP) | 1991-02-27 | — | — | EP | disclosed |
| US-4772416-A | LIQUID CRYSTALS | CHISSO CORPORATION (JP) | 1988-09-20 | — | — | US | disclosed |