Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | EDNRA | P25101 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1016097 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4ENFE2L2SLC1A3SLC1A2 | |
| SCHEMBL15437898 | 0.77 | ALDH1A1 (0.43) | ALDH1A1KDM4ERAPGEF4L3MBTL1TP53 | |
| SCHEMBL28938489 | 0.76 | ALDH1A1 (0.54) | ALDH1A1KDM4ENFE2L2RAPGEF4L3MBTL1 | |
| SCHEMBL1120137 | 0.76 | ALDH1A1 (0.54) | ALDH1A1KDM4ENFE2L2RAPGEF4L3MBTL1 | |
| SCHEMBL3391401 | 0.75 | RAPGEF4 (0.39) | ALDH1A1KDM4ENFE2L2SLC1A3SLC1A2 | |
| SCHEMBL10928098 | 0.74 | ALDH1A1 (0.41) | ALDH1A1KDM4ESLC1A3SLC1A2SLC1A1 | |
| Formamide SCHEMBL9275680 | 0.73 | CA2 (0.48) | ALDH1A1KDM4ETSHRCA12CA1 | |
| SCHEMBL5691143 | 0.72 | RAPGEF4 (0.44) | ALDH1A1KDM4ENFE2L2SLC1A3SLC1A2 | |
| SCHEMBL7369 | 0.72 | CA2 (0.56) | CA12CA1CA2CA9 | |
| SCHEMBL29410204 | 0.72 | CA2 (0.56) | CA12CA1CA2CA9 |
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-0086510-B1 | PROCESS FOR THE PREPARATION OF ENAMINES; NOVEL ENAMINES AND THE USE OF ENAMINES IN THE PREPARATION OF DIHYDROPYRIDINES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1985-11-13 | — | — | EP | disclosed |