Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | ACP3 | P15309 | 3/20 | 0.42 |
| ▸ | ECE1 | P42892 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6842064 | 0.86 | ALOX5 (0.44) | CYP2C9CYP2C19HPGDHTTALDH1A1 | |
| SCHEMBL729984 | 0.86 | CYP2C19 (0.47) | CYP2C9CYP2C19HPGDHTTALDH1A1 | |
| SCHEMBL1533601 | 0.86 | CYP2C9 (0.43) | CYP2C9CYP2C19HPGDHTTALDH1A1 | |
| SCHEMBL18259143 | 0.85 | CYP2C19 (0.46) | CYP2C9CYP2C19HPGDHTTALDH1A1 | |
| Adipic Acid SCHEMBL1866364 | 0.85 | CYP2C19 (0.46) | CYP2C9CYP2C19HPGDHTTALDH1A1 | |
| SCHEMBL5156697 | 0.85 | KDM4E (0.47) | CYP2C9CYP2C19HPGDHTTEPHX2 | |
| SCHEMBL451183 | 0.84 | KDM4E (0.49) | CYP2C9CYP2C19HPGDHTTEPHX2 | |
| SCHEMBL1826965 | 0.84 | KDM4E (0.49) | CYP2C9CYP2C19HPGDHTTEPHX2 | |
| SCHEMBL8015861 | 0.84 | KDM4E (0.49) | CYP2C9CYP2C19HPGDHTTEPHX2 | |
| SCHEMBL2024342 | 0.84 | KDM4E (0.49) | CYP2C9CYP2C19HPGDHTTEPHX2 |
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-1972920-A | Arylalkyl piperazine derivatives for the treatment of conditions ameliorated by monoamine reuptake including vasomotor symptoms | WYETH CORP (US) | 2007-05-30 | — | — | CN | disclosed |