Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5788690 | 0.83 | LTA4H (0.49) | GRM1KMT2ACYP1A2ALDH1A1CYP2C19 | |
| SCHEMBL27637672 | 0.78 | GRM1 (0.41) | GRM1KMT2ACES2CES1CYP2C9 | |
| SCHEMBL5353608 | 0.70 | CES2 (0.50) | GRM1KMT2ACES2CES1CYP2C9 | |
| SCHEMBL5353609 | 0.70 | CES2 (0.50) | GRM1KMT2ACES2CES1CYP2C9 | |
| SCHEMBL3068393 | 0.70 | CES2 (0.74) | GRM1KMT2ACES2CES1CYP2C9 | |
| SCHEMBL10920829 | 0.70 | HTT (0.47) | KMT2ACYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL10919795 | 0.70 | HTT (0.47) | KMT2ACYP1A2CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL2044451 | 0.69 | ALDH1A1 (0.43) | KMT2ATSHRALDH1A1GSK3B | |
| SCHEMBL11159920 | 0.66 | POLB (0.67) | KMT2ACES2CES1CYP1A2CYP3A4 | |
| SCHEMBL11159914 | 0.66 | POLB (0.67) | KMT2ACES2CES1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1553096-B1 | PYRAZOLE COMPOUNDS | UBE INDUSTRIES (JP) | 2012-10-31 | — | — | EP | disclosed |