Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RARB | P10826 | 3/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.40 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9157311 | 0.97 | CYP2D6 (0.47) | CYP2D6CYP3A4HPGDKDM4EALDH1A1 | |
| SCHEMBL9158961 | 0.96 | NR5A1 (0.42) | CYP2D6CYP3A4HPGDKDM4EALDH1A1 | |
| SCHEMBL9158222 | 0.94 | ACACB (0.40) | CYP2D6CYP3A4HPGDKDM4EALDH1A1 | |
| SCHEMBL9157720 | 0.92 | MCHR1 (0.42) | CYP2D6CYP3A4HPGDKDM4EALDH1A1 | |
| SCHEMBL9766659 | 0.92 | CYP2D6 (0.42) | CYP2D6CYP3A4HPGDKDM4EALDH1A1 | |
| SCHEMBL9154867 | 0.88 | ACACB (0.41) | HTTLMNAHSD17B10 | |
| SCHEMBL9158464 | 0.87 | NQO1 (0.39) | HPGDKDM4EALDH1A1MCHR1RAB9A | |
| SCHEMBL9766674 | 0.86 | MCHR1 (0.39) | HPGDKDM4EALDH1A1L3MBTL1HTT | |
| SCHEMBL9156038 | 0.84 | HSD17B10 (0.49) | CYP3A4HPGDKDM4EALDH1A1RARB | |
| SCHEMBL9159722 | 0.83 | NQO1 (0.42) | — |
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 4 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 |
| EP-0445248-A1 | PYRIDINE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1991-09-11 | — | — | EP | disclosed |
| WO-1991004248-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |