Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7317206 | 0.89 | ALDH1A1 (0.41) | ALDH1A1TSHRHTTCYP2D6CYP1A2 | |
| SCHEMBL7309620 | 0.87 | TAAR1 (0.36) | ALDH1A1TSHRHTTCYP2D6CYP1A2 | |
| SCHEMBL7314258 | 0.84 | CHRM2 (0.37) | ALDH1A1TSHRHTTCYP2D6CYP1A2 | |
| SCHEMBL7310024 | 0.81 | POLB (0.33) | CHRM3CHRM2CHRM1KMT2ALMNA | |
| SCHEMBL7316634 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TSHRHTTCYP2D6CYP1A2 | |
| SCHEMBL7306684 | 0.79 | BACE1 (0.31) | CHRM3CHRM2CHRM1 | |
| SCHEMBL7317285 | 0.77 | CHRM3 (0.33) | ALDH1A1TSHRHTTCYP2D6CYP1A2 | |
| SCHEMBL8850805 | 0.76 | CYP2D6 (0.45) | ALDH1A1CYP2D6CYP1A2CHRM3CHRM2 | |
| SCHEMBL7304839 | 0.75 | CACNA1G (0.44) | ALDH1A1MAPTKCNH2 | |
| SCHEMBL7307228 | 0.75 | EBP (0.55) | TSHRHTTCYP2D6CYP1A2CHRM3 |
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 |