Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL7304444 | 0.82 | CYP2D6 (0.34) | CYP2C19CYP2D6CYP3A4EBPSIGMAR1 | |
| SCHEMBL7316269 | 0.82 | CHRM3 (0.36) | CYP2C19ALDH1A1CYP2D6CYP3A4EBP | |
| SCHEMBL7306091 | 0.71 | EBP (0.54) | CYP2C19HIF1ATBXA2RCYP2D6CYP1A2 | |
| SCHEMBL7304642 | 0.71 | EBP (0.54) | CYP2C19HIF1ATBXA2RCYP2D6CYP1A2 | |
| SCHEMBL7314859 | 0.70 | TBXA2R (0.35) | CYP2C19HIF1AALDH1A1TBXA2RCYP2D6 | |
| SCHEMBL7314866 | 0.69 | CES2 (0.35) | ALDH1A1TBXA2RHDAC3HDAC4HDAC1 | |
| SCHEMBL5751980 | 0.69 | EBP (0.51) | CYP2C19HIF1AALDH1A1CYP2D6CYP1A2 | |
| SCHEMBL7316961 | 0.68 | ALDH1A1 (0.38) | CYP2C19HIF1AALDH1A1TBXA2RCYP2D6 | |
| SCHEMBL7309897 | 0.68 | TBXA2R (0.41) | CYP2C19ALDH1A1TBXA2RCYP2D6CYP1A2 | |
| SCHEMBL7308232 | 0.66 | CYP2C19 (0.39) | CYP2C19HIF1AALDH1A1TBXA2RCYP2D6 |
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 |