Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | SOD1 | P00441 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 4/20 | 0.38 |
| ▸ | RXRB | P28702 | 4/20 | 0.38 |
| ▸ | RXRG | P48443 | 3/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.36 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4008645 | 0.82 | KDM4E (0.49) | CES2MAPTKDM4EALDH1A1CYP2C19 | |
| SCHEMBL1000256 | 0.80 | KDM4E (0.49) | CES2MAPTSCN9AKDM4EUSP2 | |
| SCHEMBL1194378 | 0.73 | CNR2 (0.41) | CES2HSD17B10 | |
| SCHEMBL8838335 | 0.73 | IDO1 (0.50) | CES2MAPTUSP2ALDH1A1HPGD | |
| SCHEMBL15453834 | 0.71 | CES2 (0.52) | CES2MAPTSCN9ASOD1RXRA | |
| SCHEMBL25564031 | 0.71 | CES2 (0.47) | CES2MAPTKDM4EUSP2ALDH1A1 | |
| SCHEMBL24436817 | 0.70 | CYP3A4 (0.49) | CES2MAPTKDM4EUSP2ALDH1A1 | |
| SCHEMBL4762590 | 0.70 | RXRA (0.48) | CES2MAPTKDM4EUSP2ALDH1A1 | |
| SCHEMBL17356485 | 0.70 | CYP4F2 (0.56) | CES2MAPTSCN9AKDM4EUSP2 | |
| SCHEMBL5004362 | 0.70 | ELANE (0.42) | CES2MAPTSCN9AKDM4EUSP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0088066-A1 | 3,5-Bis (trifluoromethyl) phenoxy carboxylic acids and derivatives thereof | MONSANTO COMPANY (US) | 1983-09-07 | — | — | EP | claimed |
| EP-0088066-A1 | 3,5-Bis (trifluoromethyl) phenoxy carboxylic acids and derivatives thereof | MONSANTO COMPANY (US) | 1983-09-07 | — | — | EP | disclosed |