Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | MME | P08473 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL8090711 | 1.00 | ALDH1A1 (0.53) | ALDH1A1GAAPOLBL3MBTL1MME | |
| SCHEMBL8090704 | 1.00 | ALDH1A1 (0.53) | ALDH1A1GAAPOLBL3MBTL1MME | |
| SCHEMBL9084021 | 0.91 | ALDH1A1 (0.56) | ALDH1A1GAAPOLBL3MBTL1MEN1 | |
| SCHEMBL9084034 | 0.91 | ALDH1A1 (0.56) | ALDH1A1GAAPOLBL3MBTL1MEN1 | |
| SCHEMBL8092180 | 0.87 | ALDH1A1 (0.55) | ALDH1A1GAAPOLBL3MBTL1MME | |
| SCHEMBL8092170 | 0.87 | ALDH1A1 (0.55) | ALDH1A1GAAPOLBL3MBTL1MME | |
| SCHEMBL8092185 | 0.87 | ALDH1A1 (0.55) | ALDH1A1GAAPOLBL3MBTL1MME | |
| SCHEMBL13652720 | 0.83 | ALDH1A1 (0.49) | ALDH1A1GAAPOLBL3MBTL1MEN1 | |
| SCHEMBL7064833 | 0.83 | SDCBP (0.47) | ALDH1A1GAAPOLBKDM4ETP53 | |
| SCHEMBL7064840 | 0.83 | SDCBP (0.47) | ALDH1A1GAAPOLBKDM4ETP53 |
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-0640617-B1 | Substituted azepino (2,1-a)isoquinoline compounds | BRISTOL MYERS SQUIBB CO (US) | 2000-12-06 | — | — | EP | disclosed |