Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 11/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 8/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9154037 | 1.00 | CYP2D6 (0.55) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9152221 | 0.97 | CYP2D6 (0.52) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9159121 | 0.97 | CYP2D6 (0.52) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9155843 | 0.96 | CYP2D6 (0.51) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9159126 | 0.96 | CYP2D6 (0.51) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9160899 | 0.96 | CYP2D6 (0.51) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9160877 | 0.94 | CYP2D6 (0.48) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9160694 | 0.94 | CYP2D6 (0.48) | CYP2D6CYP2C9CYP2C19CYP19A1CYP3A4 | |
| SCHEMBL9253133 | 0.87 | GRM5 (0.47) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL9159912 | 0.87 | GRM5 (0.47) | NPC1RAB9ASMN1; SMN2KDM4EMAPT |
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-0445248-B1 | PYRIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 1995-03-08 | — | — | EP | disclosed |
| US-5205962-A | Stable liquid crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-04-27 | — | — | US | disclosed |