Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL28680777 | 0.86 | CYP2C19 (0.37) | CYP2C19HIF1ARIPK1 | |
| SCHEMBL26757337 | 0.83 | CYP2C19 (0.50) | CYP2C19HIF1ARIPK1ESR1ESR2 | |
| SCHEMBL8612395 | 0.79 | CYP2C19 (0.47) | CYP2C19HIF1ARIPK1ESR1ESR2 | |
| SCHEMBL597345 | 0.79 | CYP2C19 (0.47) | CYP2C19HIF1ARIPK1ESR1ESR2 | |
| SCHEMBL8796998 | 0.78 | ESR1 (0.44) | CYP2C19ESR1ESR2GRIN1GRIN2A | |
| SCHEMBL7041512 | 0.76 | CYP2C19 (0.48) | CYP2C19HIF1ARIPK1ESR1ESR2 | |
| SCHEMBL28670436 | 0.76 | CYP2C19 (0.44) | CYP2C19HIF1AESR1ESR2TAAR1 | |
| SCHEMBL7041511 | 0.76 | CYP2C19 (0.48) | CYP2C19HIF1AESR1ESR2TAAR1 | |
| SCHEMBL11801078 | 0.76 | TAAR1 (0.54) | CYP2C19HIF1AESR1ESR2TAAR1 | |
| SCHEMBL11415099 | 0.76 | CYP2C19 (0.48) | CYP2C19HIF1ARIPK1ESR1ESR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008091594-A2 | FUNGICIDAL MIXTURES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-31 | — | — | WO | disclosed |
| EP-1948649-A2 | FUNGICIDAL CARBOXAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007014290-A2 | FUNGICIDAL CARBOXAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-02-01 | — | — | WO | disclosed |