Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7926322 | 0.86 | CA12 (0.60) | ALDH1A1CYP2C9SMN1; SMN2PKMLMNA | |
| SCHEMBL4020471 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CYP2C9SMN1; SMN2PKMLMNA | |
| SCHEMBL11511836 | 0.82 | ALDH1A1 (0.83) | ALDH1A1CYP2C9SMN1; SMN2LMNATSHR | |
| SCHEMBL1619896 | 0.81 | ALDH1A1 (0.71) | ALDH1A1SMN1; SMN2PKMLMNATSHR | |
| SCHEMBL934549 | 0.80 | ALDH1A1 (0.49) | ALDH1A1CYP2C9SMN1; SMN2LMNAMAPT | |
| SCHEMBL28109012 | 0.80 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2PKMLMNAMAPT | |
| SCHEMBL4050348 | 0.79 | SMN1; SMN2 (0.68) | ALDH1A1SMN1; SMN2PKMLMNAHTT | |
| SCHEMBL2349931 | 0.77 | PSIP1 (0.50) | ALDH1A1SMN1; SMN2PKMLMNATSHR | |
| SCHEMBL1962604 | 0.76 | MMP13 (0.45) | ALDH1A1CYP2C9SMN1; SMN2LMNATSHR | |
| SCHEMBL3685320 | 0.76 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2PKMLMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2020404-A1 | Cyanomethyl substituted N-Acyl Tryptamines | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-02-04 | — | — | EP | disclosed |