Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL301743 | 0.92 | ALDH1A1 (0.67) | ALDH1A1LMNAKDM4EKEAP1PKM | |
| Hydrochloric Acid SCHEMBL7530847 | 0.90 | ALDH1A1 (0.64) | ALDH1A1LMNAKDM4EKEAP1PKM | |
| SCHEMBL27276998 | 0.90 | ALDH1A1 (0.64) | ALDH1A1LMNAKDM4EKEAP1PKM | |
| SCHEMBL27410763 | 0.88 | ALDH1A1 (0.62) | ALDH1A1LMNAKDM4EKEAP1PKM | |
| SCHEMBL7926317 | 0.85 | ALDH1A1 (0.59) | ALDH1A1LMNAKDM4EKEAP1PKM | |
| Propane SCHEMBL9721903 | 0.84 | ALDH1A1 (0.54) | ALDH1A1LMNAKDM4EKEAP1PKM | |
| SCHEMBL6984389 | 0.82 | ALDH1A1 (0.68) | ALDH1A1LMNAKDM4EPKMSMN1; SMN2 | |
| SCHEMBL11511836 | 0.81 | ALDH1A1 (0.83) | ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL7066933 | 0.81 | MMP1 (0.64) | ALDH1A1LMNAKDM4ESMN1; SMN2KMT2A | |
| SCHEMBL4050345 | 0.78 | NR3C2 (0.56) | ALDH1A1LMNAKDM4EKEAP1PKM |
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 |