Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.77 |
| ▸ | RAB9A | P51151 | 6/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.77 |
| ▸ | GLA | P06280 | 4/20 | 0.77 |
| ▸ | MEN1 | O00255 | 2/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.77 |
| ▸ | GAPDH | P04406 | 5/20 | 0.65 |
| ▸ | MAOB | P27338 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | CASP1 | P29466 | 2/20 | 0.57 |
| ▸ | CASP7 | P55210 | 2/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL15286102 | 0.90 | NPC1 (0.85) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL14880118 | 0.87 | NPC1 (1.00) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL16520513 | 0.86 | NPC1 (0.79) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL20288536 | 0.86 | NPC1 (0.79) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL18523591 | 0.85 | NPC1 (0.77) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL8115599 | 0.85 | NPC1 (0.77) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL23316813 | 0.83 | NPC1 (0.74) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL20052531 | 0.83 | NPC1 (0.74) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL20355398 | 0.83 | NPC1 (0.74) | NPC1RAB9AKDM4EGLAMEN1 | |
| SCHEMBL28585595 | 0.82 | NPC1 (0.73) | NPC1RAB9AKDM4EGLAMEN1 |
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-2831054-B1 | IMPROVED PROCESS FOR PRODUCING (S)-EQUOL | REDDYS LAB LTD DR (IN) | 2016-11-30 | — | — | EP | claimed |