Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL721439 | 0.99 | NPC1 (0.51) | NPC1RAB9AHCRTR1PPARGNCOR2 | |
| SCHEMBL719110 | 0.91 | NPC1 (0.41) | NPC1RAB9ARCE1ALDH1A1TEAD4 | |
| SCHEMBL14905708 | 0.90 | NPC1 (0.48) | NPC1RAB9AHCRTR1PPARGNCOR2 | |
| SCHEMBL718462 | 0.87 | NPC1 (0.48) | NPC1RAB9AHCRTR1PPARGNCOR2 | |
| SCHEMBL721727 | 0.86 | NPC1 (0.47) | NPC1RAB9A | |
| SCHEMBL718724 | 0.86 | NPC1 (0.42) | NPC1RAB9AHCRTR1PPARGNCOR2 | |
| SCHEMBL721199 | 0.86 | NPC1 (0.48) | NPC1RAB9A | |
| SCHEMBL720543 | 0.85 | NPC1 (0.52) | NPC1RAB9ARCE1ALDH1A1KDM4E | |
| SCHEMBL719224 | 0.85 | NPC1 (0.44) | NPC1RAB9ATEAD4MAPTOPRK1 | |
| SCHEMBL719816 | 0.85 | NPC1 (0.41) | NPC1RAB9ARCE1ALDH1A1TEAD4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8436043-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-05-07 | — | — | US | disclosed |