Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TMPRSS4 | Q9NRS4 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | HPN | P05981 | 1/20 | 0.40 |
| ▸ | P2RX1 | P51575 | 3/20 | 0.39 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17730406 | 0.85 | KDM4E (0.44) | CES2MEN1KMT2ATMPRSS4IDO1 | |
| SCHEMBL27395327 | 0.81 | CES2 (0.52) | CES2MEN1KMT2ATMPRSS4KDM4E | |
| SCHEMBL21884658 | 0.79 | TMPRSS4 (0.50) | CES2MEN1KMT2ATMPRSS4KDM4E | |
| SCHEMBL17814063 | 0.76 | PDE2A (0.46) | CES2IDO1KDM4EALDH1A1HPGD | |
| SCHEMBL24066344 | 0.75 | TMPRSS4 (0.48) | CES2MEN1KMT2ATMPRSS4P2RX1 | |
| SCHEMBL130628 | 0.74 | ALDH1A1 (0.59) | CES2MEN1KMT2ATMPRSS4KDM4E | |
| SCHEMBL10455842 | 0.74 | MEN1 (0.44) | CES2MEN1KMT2ATMPRSS4KDM4E | |
| SCHEMBL10786191 | 0.73 | ALDH1A1 (0.58) | CES2MEN1KMT2ATMPRSS4KDM4E | |
| SCHEMBL10455841 | 0.73 | CES2 (0.52) | CES2MEN1KMT2ATMPRSS4KDM4E | |
| SCHEMBL320481 | 0.73 | CES2 (0.52) | CES2MEN1KMT2ATMPRSS4KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-104487433-B | Triazolone compounds as mPGES-1 inhibitors | 格兰马克药品股份有限公司 | 2016-12-07 | — | — | CN | disclosed |