Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4561934 | 0.86 | NPC1 (0.50) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL15626605 | 0.80 | NPC1 (0.50) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL14494924 | 0.76 | NPC1 (0.60) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL18365245 | 0.76 | NPC1 (0.68) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL3337292 | 0.76 | GUSB (0.57) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL7574964 | 0.75 | NPC1 (0.58) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL1171203 | 0.74 | NPC1 (0.51) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL11922276 | 0.74 | AMY1A (0.43) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL31005271 | 0.73 | NPC1 (0.53) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL22244598 | 0.73 | NPC1 (0.53) | NPC1RAB9AKDM4EALDH1A1PKM |
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-2012009217-A1 | SPIROCYCLIC COMPOUNDS | MERCK SHARP & DOHME CORP. (US) | 2012-01-19 | — | — | WO | disclosed |