Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 5/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 5/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.34 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL453502 | 0.84 | KCNN4 (0.46) | CYP1A2CYP2D6KCNN4TAAR1KIF11 | |
| SCHEMBL28463952 | 0.80 | CYP2D6 (0.45) | CYP1A2CYP2D6GRIN1GRIN2AGRIN2D | |
| SCHEMBL1780306 | 0.79 | TAAR1 (0.48) | CYP2D6KCNN4TAAR1KCNH2KIF11 | |
| SCHEMBL8796998 | 0.77 | ESR1 (0.44) | CYP2D6KCNN4GRIN1GRIN2AGRIN2D | |
| SCHEMBL28118448 | 0.77 | KCNN4 (0.39) | CYP1A2CYP2D6KCNN4TAAR1OPRM1 | |
| SCHEMBL7131764 | 0.76 | HTT (0.45) | CYP1A2CYP2D6KCNN4TAAR1 | |
| SCHEMBL5046276 | 0.76 | KCNN4 (0.46) | CYP1A2CYP2D6KCNN4TAAR1KIF11 | |
| SCHEMBL4610174 | 0.76 | CYP2C19 (0.41) | CYP1A2CYP2D6KCNN4TAAR1GRIN1 | |
| SCHEMBL1139315 | 0.74 | CYP2C19 (0.53) | CYP1A2CYP2D6OPRM1CYP2B6DRD3 | |
| SCHEMBL1139107 | 0.74 | CYP2C19 (0.53) | CYP1A2CYP2D6OPRM1CYP2B6DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6667412-B1 | Carboxylic acid, ester or alcohol derivatives; n,n-substi-tuted cyclic amine or phenylacetonitrile intermediates; low cost; stability, workability, final product purity | EISAI CO., LTD. (JP) | 2003-12-23 | — | — | US | disclosed |
| EP-1167348-A1 | NITRILE DERIVATIVES | Eisai Co., Ltd. (JP) | 2002-01-02 | — | — | EP | disclosed |