Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 4/20 | 0.33 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28819750 | 0.78 | KCNH2 (0.35) | CYP2D6CYP1A2KCNH2OPRM1OPRD1 | |
| SCHEMBL27360229 | 0.76 | KCNN4 (0.40) | KCNH2CES1KIF11AOX1LMNA | |
| SCHEMBL21401129 | 0.75 | KCNH2 (0.38) | CYP2D6CYP1A2KCNH2OPRM1OPRD1 | |
| SCHEMBL7306462 | 0.75 | KIF11 (0.36) | CYP2D6CYP1A2KCNH2OPRM1OPRD1 | |
| SCHEMBL7307298 | 0.75 | CYP1A2 (0.33) | CYP2D6CYP1A2KIF11AOX1LMNA | |
| SCHEMBL7307357 | 0.73 | ALDH1A1 (0.42) | CYP2D6CYP1A2KCNH2OPRM1OPRD1 | |
| SCHEMBL5752959 | 0.70 | EBP (0.51) | CYP2D6CYP1A2KCNH2OPRM1CHRM3 | |
| SCHEMBL7310593 | 0.70 | EBP (0.51) | CYP2D6CYP1A2KCNH2OPRM1CHRM3 | |
| SCHEMBL1834441 | 0.70 | TAAR1 (0.48) | OPRM1AOX1CYP2C19HIF1ARIPK1 | |
| SCHEMBL9340362 | 0.70 | CYP2C19 (0.39) | CYP2D6CYP1A2AOX1KCNN4CYP2C19 |
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-1041064-A2 | N-substituted alpha aminoacid amides as calcium channel modulators | ELI LILLY AND COMPANY LIMITED (GB) | 2000-10-04 | — | — | EP | disclosed |
| EP-0805147-A1 | Novel N-substituted alpha aminoacid amides as calcium channel modulators | LILLY INDUSTRIES LIMITED (GB) | 1997-11-05 | — | — | EP | disclosed |