Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | RXRA | P19793 | 2/20 | 0.47 |
| ▸ | RXRB | P28702 | 2/20 | 0.47 |
| ▸ | RXRG | P48443 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | POLQ | O75417 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15453599 | 0.83 | CES2 (0.49) | CES2RXRARXRBRXRGCYP2C19 | |
| SCHEMBL4981997 | 0.82 | KDM4E (0.62) | CES2RXRARXRBRXRGCYP2C19 | |
| SCHEMBL15454581 | 0.82 | CES2 (0.55) | CES2RXRARXRBRXRGCYP2C19 | |
| SCHEMBL10180243 | 0.81 | RXRA (0.50) | CES2RXRARXRBRXRGALOX15 | |
| SCHEMBL15765736 | 0.81 | RXRA (0.52) | CES2RXRARXRBRXRGCYP2C19 | |
| SCHEMBL15763958 | 0.77 | RXRA (0.46) | CES2RXRARXRBRXRGCYP2C19 | |
| SCHEMBL22898335 | 0.75 | ELANE (0.59) | CES2ALDH1A1PPARA | |
| SCHEMBL15438765 | 0.75 | RXRA (0.44) | CES2RXRARXRBRXRGCYP2C19 | |
| SCHEMBL27713339 | 0.75 | MEN1 (0.44) | CYP2C19KDM4EALDH1A1HPGDDRD2 | |
| SCHEMBL27733671 | 0.75 | ALDH1A1 (0.53) | CYP2C19KDM4EUSP2ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-105541594-A | Synthetic method for netupitant intermediate 2-(3,5-bistrifluoromethylphenyl)-2-methyl propionate | HEFEI LIFU BIOTECHNOLOGY CO LTD | 2016-05-04 | — | — | CN | disclosed |
| CN-105541594-A | Synthetic method for netupitant intermediate 2-(3,5-bistrifluoromethylphenyl)-2-methyl propionate | HEFEI LIFU BIOTECHNOLOGY CO LTD | 2016-05-04 | — | — | CN | disclosed |