Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL168184 | 0.89 | HKDC1 (0.40) | HKDC1TRPM8KMT2AMEN1ALDH1A1 | |
| SCHEMBL28054964 | 0.73 | ALOX5 (0.49) | CYP1A2CYP2D6HKDC1TRPM8KMT2A | |
| SCHEMBL7754836 | 0.70 | ESR1 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19KMT2A | |
| SCHEMBL11050985 | 0.68 | HKDC1 (0.46) | CYP3A4CYP2D6HKDC1KMT2AMEN1 | |
| SCHEMBL5674838 | 0.68 | ATM (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19KMT2A | |
| SCHEMBL12204118 | 0.68 | ALDH1A1 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL4594817 | 0.67 | MEN1 (0.50) | KMT2AMEN1ALDH1A1KDM4EPOLB | |
| SCHEMBL14430040 | 0.67 | HKDC1 (0.41) | CYP1A2CYP2D6HKDC1KMT2AMEN1 | |
| SCHEMBL1169310 | 0.67 | MEN1 (0.50) | KMT2AMEN1ALDH1A1KDM4EPOLB | |
| SCHEMBL7314848 | 0.67 | MEN1 (0.52) | CYP2C19TRPM8KMT2AMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2611296-A2 | FUNGICIDAL PYRAZOLES AND THEIR MIXTURES | E.I. Du Pont De Nemours And Company (US) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012031061-A2 | FUNGICIDAL PYRAZOLES AND THEIR MIXTURES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-03-08 | — | — | WO | disclosed |