Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14463835 | 0.93 | NPC1 (0.41) | NPC1RAB9AEPHX2NR1H4GAA | |
| SCHEMBL14463585 | 0.93 | NPC1 (0.41) | NPC1RAB9AEPHX2NR1H4GAA | |
| SCHEMBL14463414 | 0.92 | NPC1 (0.47) | NPC1RAB9AEPHX2NR1H4GAA | |
| SCHEMBL14463903 | 0.92 | NPC1 (0.56) | NPC1RAB9AGAAALDH1A1TP53 | |
| SCHEMBL14463475 | 0.90 | NPC1 (0.39) | NPC1RAB9AEPHX2NR1H4GAA | |
| SCHEMBL14463444 | 0.90 | NPC1 (0.47) | NPC1RAB9AEPHX2NR1H4GAA | |
| SCHEMBL4930629 | 0.89 | NPC1 (0.50) | NPC1RAB9AEPHX2NR1H4GAA | |
| SCHEMBL14463413 | 0.88 | NPC1 (0.52) | NPC1RAB9AGAAALDH1A1TP53 | |
| SCHEMBL14463583 | 0.88 | EPHX2 (0.43) | NPC1RAB9AEPHX2NR1H4TP53 | |
| Hydrochloric Acid SCHEMBL4932676 | 0.88 | NPC1 (0.49) | NPC1RAB9AEPHX2NR1H4GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1810677-A1 | RECEPTOR FUNCTION REGULATING AGENT | Takeda Pharmaceutical Company Limited (JP) | 2007-07-25 | — | — | EP | disclosed |