Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 9/20 | 0.42 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.42 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL30503074 | 1.00 | NPC1 (0.45) | NPC1RAB9APTGS1TRPV1MAPK3 | |
| SCHEMBL25314807 | 0.81 | MEN1 (0.51) | NPC1RAB9ATRPV1MAPK3CCR6 | |
| SCHEMBL29438827 | 0.80 | TNNI3K (0.54) | NPC1RAB9ACCR6METAP1MAPT | |
| SCHEMBL22718227 | 0.80 | TNNI3K (0.54) | NPC1RAB9ACCR6METAP1MAPT | |
| SCHEMBL24497427 | 0.80 | TEAD1 (0.50) | PTGS1TRPV1MAPK3 | |
| SCHEMBL29648357 | 0.80 | TEAD1 (0.50) | PTGS1TRPV1MAPK3 | |
| SCHEMBL25314628 | 0.78 | KDR (0.46) | NPC1RAB9ATRPV1CCR6MAPT | |
| SCHEMBL31097794 | 0.78 | KDR (0.46) | NPC1RAB9ATRPV1CCR6MAPT | |
| SCHEMBL22843482 | 0.75 | CCR6 (0.43) | NPC1RAB9ATRPV1CCR6METAP1 | |
| SCHEMBL25876978 | 0.75 | NPY5R (0.50) | PTGS1TRPV1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023136645-A1 | NOVEL AMINOBENZENE DERIVATIVE HAVING CANCER CELL GROWTH INHIBITORY EFFECT, AND PREVENTIVE OR THERAPEUTIC PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT | 주식회사 대웅제약 | 2023-07-20 | — | — | WO | disclosed |