Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | ACACA | Q13085 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 7/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9766609 | 0.96 | ACACB (0.41) | ACACBACACALMNAL3MBTL1HSD17B10 | |
| SCHEMBL9158863 | 0.96 | LMNA (0.46) | ACACBACACALMNAL3MBTL1HSD17B10 | |
| SCHEMBL9155906 | 0.95 | CYP2D6 (0.47) | LMNAL3MBTL1HSD17B10RAB9ASMN1; SMN2 | |
| SCHEMBL9152820 | 0.92 | CYP3A4 (0.44) | LMNAL3MBTL1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL9159089 | 0.91 | PKM (0.43) | LMNAL3MBTL1SMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL9155765 | 0.89 | RAB9A (0.40) | LMNAL3MBTL1HSD17B10DHFRRAB9A | |
| SCHEMBL9161261 | 0.88 | MEN1 (0.43) | LMNASMN1; SMN2ALDH1A1CYP3A4MEN1 | |
| SCHEMBL9875889 | 0.87 | CASP3 (0.40) | LMNAL3MBTL1HSD17B10HTTDHFR | |
| SCHEMBL9158851 | 0.85 | NQO1 (0.42) | LMNAL3MBTL1DHFRRAB9ASMN1; SMN2 | |
| SCHEMBL9158674 | 0.84 | NPC1 (0.38) | HSD17B10HTTRAB9ASMN1; SMN2ALDH1A1 |
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-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 |
| WO-1991004248-A1 | PYRIDINE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-04-04 | — | — | WO | disclosed |