Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.36 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | TEK | Q02763 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11913027 | 0.84 | CES2 (0.40) | NPC1RAB9AKDM4EALDH1A1MAPK1 | |
| SCHEMBL11917195 | 0.81 | CYP3A4 (0.48) | CES2CES1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17113449 | 0.80 | CYP3A4 (0.50) | KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18650595 | 0.78 | MAP4K4 (0.38) | — | |
| SCHEMBL29061268 | 0.78 | CYP3A4 (0.36) | ALDH1A1CES2CES1CYP3A4CYP2C9 | |
| SCHEMBL18661269 | 0.78 | CES2 (0.42) | GAANPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL2554655 | 0.78 | CES2 (0.42) | GAAKDM4EALDH1A1TDP1CES2 | |
| SCHEMBL14332118 | 0.78 | CYP3A4 (0.43) | NPC1RAB9AALDH1A1TDP1CES2 | |
| SCHEMBL30352878 | 0.78 | CES2 (0.42) | GAAKDM4EALDH1A1TDP1CES2 | |
| SCHEMBL17120565 | 0.78 | CES2 (0.42) | GAANPC1RAB9AKDM4EALDH1A1 |
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-3119764-B1 | ANTIFUNGAL COMPOUND PROCESS | VIAMET PHARMACEUTICALS NC INC (US) | 2019-04-17 | — | — | EP | disclosed |