Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.43 |
| ▸ | RAB9A | P51151 | 7/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 5/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 2/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.40 |
| ▸ | HMOX1 | P09601 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.39 |
| ▸ | HTR3B | O95264 | 2/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2017712 | 1.00 | NPC1 (0.43) | NPC1RAB9AALOX12NCOA3NCOA1 | |
| SCHEMBL2013325 | 0.92 | NPC1 (0.50) | NPC1RAB9AALOX12NCOA3NCOA1 | |
| SCHEMBL12403650 | 0.90 | SMO (0.46) | NPC1RAB9AALOX12NCOA3NCOA1 | |
| SCHEMBL2013775 | 0.89 | ALOX12 (0.50) | NPC1RAB9AALOX12NCOA3NCOA1 | |
| SCHEMBL2017715 | 0.86 | MTNR1A (0.41) | NPC1RAB9AALOX12NCOA3NCOA1 | |
| SCHEMBL2035784 | 0.86 | NPC1 (0.43) | NPC1RAB9AALOX12NCOA3NCOA1 | |
| SCHEMBL2163699 | 0.86 | NPC1 (0.43) | NPC1RAB9AALOX12NCOA3NCOA1 | |
| SCHEMBL2012925 | 0.86 | NPC1 (0.52) | NPC1RAB9AALOX12NCOA3NCOA1 | |
| SCHEMBL2035890 | 0.84 | SMO (0.46) | NPC1RAB9AALOX12NCOA3NCOA1 | |
| SCHEMBL2164336 | 0.84 | SMO (0.46) | NPC1RAB9AALOX12NCOA3NCOA1 |
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-2011075630-A1 | SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2011-06-23 | — | — | WO | disclosed |