Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 5/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11499667 | 0.82 | MEN1 (0.48) | CYP2C9CYP2C19GAAMAPTKMT2A | |
| SCHEMBL9299353 | 0.78 | HPGD (0.60) | CYP2C9CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL9854916 | 0.78 | MEN1 (0.51) | CYP2C9CYP2C19GAAMAPTLMNA | |
| SCHEMBL11138823 | 0.78 | CCR2 (0.43) | ALDH1A1CES2 | |
| SCHEMBL28968096 | 0.78 | ALDH1A1 (0.56) | CYP2C9CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL11042461 | 0.77 | KMT2A (0.40) | MAPTKMT2A | |
| SCHEMBL18455052 | 0.76 | CYP2C9 (0.54) | CYP2C9CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL7412588 | 0.75 | CYP2C9 (0.56) | CYP2C9CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL28342942 | 0.73 | HPGD (0.52) | CYP2C9CYP2C19KDM4EALDH1A1HPGD | |
| SCHEMBL14780442 | 0.72 | CES2 (0.56) | CYP2C19ALDH1A1HPGDCES2GAA |
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 |
|---|---|---|---|---|---|---|---|
| JP-59095242-A | — | — | None | — | — | JP | disclosed |
| JP-S5995242-A | ESTER DERIVATIVE CONTAINING TRIFLUOROMETHYL GROUP | CHISSO CORP | 1984-06-01 | — | — | JP | disclosed |