Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.65 |
| ▸ | RAB9A | P51151 | 7/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.65 |
| ▸ | CTNNB1 | P35222 | 5/20 | 0.62 |
| ▸ | WNT3A | P56704 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | PLK1 | P53350 | 1/20 | 0.58 |
| ▸ | USP2 | O75604 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2394331 | 0.81 | NPC1 (0.69) | NPC1RAB9AKDM4ECTNNB1WNT3A | |
| SCHEMBL4828375 | 0.76 | NPC1 (0.70) | NPC1RAB9AKDM4ECTNNB1WNT3A | |
| SCHEMBL15969891 | 0.76 | CTNNB1 (1.00) | CTNNB1WNT3ATSHRHPGD | |
| SCHEMBL2395645 | 0.76 | NPC1 (0.50) | NPC1RAB9AKDM4ECTNNB1WNT3A | |
| SCHEMBL2395648 | 0.76 | NPC1 (0.50) | NPC1RAB9AKDM4ECTNNB1WNT3A | |
| SCHEMBL2398594 | 0.76 | MAPT (0.67) | NPC1RAB9ALMNAMAPTALDH1A1 | |
| SCHEMBL24590725 | 0.75 | MAPT (0.62) | NPC1RAB9ALMNAMAPTPOLB | |
| SCHEMBL2392538 | 0.75 | MAPT (0.62) | NPC1RAB9ALMNAMAPTALDH1A1 | |
| SCHEMBL2395102 | 0.74 | MAPT (0.65) | NPC1RAB9AKDM4ELMNAMAPT | |
| SCHEMBL15968611 | 0.73 | CTNNB1 (1.00) | NPC1RAB9ACTNNB1WNT3AMAPT |
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-8012901-B1 | Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-09-06 | — | — | US | disclosed |