Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | DPP4 | P27487 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL11520652 | 0.83 | CES2 (0.46) | CES2CES1LCKFYNDAO | |
| SCHEMBL11520648 | 0.83 | CES2 (0.46) | CES2CES1LCKFYNDAO | |
| SCHEMBL7130236 | 0.75 | CYP2C19 (0.60) | CES2CES1GAACYP2C19HPGD | |
| SCHEMBL22758099 | 0.75 | CYP2C19 (0.60) | CES2CES1GAACYP2C19HPGD | |
| SCHEMBL10332381 | 0.74 | CA1 (0.47) | GAACYP2C19HPGDHSD17B10TSHR | |
| SCHEMBL6815908 | 0.73 | CES2 (0.43) | CES2CES1LCKFYNDAO | |
| SCHEMBL11520468 | 0.72 | NPC1 (0.50) | CES2CES1CYP2C19HPGDNPC1 | |
| SCHEMBL11250703 | 0.72 | MAPT (0.47) | CYP2C19NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL11254398 | 0.72 | MAPT (0.47) | CYP2C19NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL11250698 | 0.72 | MAPT (0.47) | CYP2C19NPC1RAB9AKDM4EALDH1A1 |
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-4144391-A | REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE | ELI LILLY AND COMPANY (US) | 1979-03-13 | — | — | US | disclosed |