Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | MRGPRX2 | Q96LB1 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28840234 | 0.77 | MAPT (0.42) | KCNH2OPRM1GRIN2DGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL28840233 | 0.76 | MAPT (0.44) | KCNH2OPRM1GRIN2DGRIN1GRIN2A | |
| SCHEMBL6511922 | 0.72 | SRC (0.44) | CES1KCNH2CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL27484845 | 0.71 | NPC1 (0.42) | CES1CYP2C19CYP1A2CYP2D6NPC1 | |
| Citric Acid SCHEMBL28953036 | 0.69 | MAPT (0.47) | CYP2C19CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL9785923 | 0.69 | CES1 (0.49) | CES1KCNH2HTR2APGRADRA2A | |
| SCHEMBL2089215 | 0.69 | CYP1A2 (0.52) | KCNH2OPRM1GRIN2DGRIN1GRIN2A | |
| SCHEMBL27985209 | 0.69 | ALDH1A1 (0.41) | GRIN2DGRIN1GRIN2AGRIN2BGRIN2C | |
| SCHEMBL15387400 | 0.69 | L3MBTL1 (0.54) | KCNH2OPRM1GRIN2DGRIN1GRIN2A | |
| SCHEMBL10384796 | 0.68 | MEN1 (0.40) | CES1KCNH2CYP2C19CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5962743-A | Process for preparing acylaromatic compounds | CATALYTICA PHARMACEUTICALS, INC. (US) | 1999-10-05 | — | — | US | disclosed |