Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21401129 | 0.78 | KCNH2 (0.38) | ALDH1A1KMT2AMEN1MAPK1KCNH2 | |
| SCHEMBL15302050 | 0.74 | ALDH1A1 (0.38) | ALDH1A1TSHRHTTMAPTKMT2A | |
| SCHEMBL8837021 | 0.74 | ALDH1A1 (0.47) | ALDH1A1TSHRHTTMAPTKMT2A | |
| SCHEMBL28819750 | 0.74 | KCNH2 (0.35) | ALDH1A1MAPK1KCNH2OPRM1OPRD1 | |
| SCHEMBL7310993 | 0.73 | CYP2D6 (0.34) | ALDH1A1TSHRKCNH2OPRM1OPRD1 | |
| Water SCHEMBL1986090 | 0.73 | ALDH1A1 (0.46) | ALDH1A1TSHRHTTMAPTKMT2A | |
| SCHEMBL7307109 | 0.71 | ALDH1A1 (0.49) | ALDH1A1TSHRHTTMAPTKMT2A | |
| SCHEMBL10600016 | 0.71 | ALDH1A1 (0.49) | ALDH1A1TSHRHTTMAPTKMT2A | |
| SCHEMBL7306462 | 0.71 | KIF11 (0.36) | ALDH1A1HTTKMT2AMEN1ATM | |
| SCHEMBL5777855 | 0.70 | ALDH1A1 (0.43) | ALDH1A1TSHRHTTMAPTKMT2A |
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 |