Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.46 |
| ▸ | CA2 | P00918 | 10/20 | 0.46 |
| ▸ | CA9 | Q16790 | 8/20 | 0.46 |
| ▸ | CA12 | O43570 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | PPM1B | O75688 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PPP1CC | P36873 | 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 | |
|---|---|---|---|---|
| SCHEMBL10900794 | 1.00 | CA1 (0.46) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL11214433 | 0.95 | ALDH1A1 (0.50) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL11211265 | 0.93 | ALDH1A1 (0.52) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL29105884 | 0.93 | ALDH1A1 (0.52) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL3491244 | 0.93 | ALDH1A1 (0.52) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL10887383 | 0.93 | ALDH1A1 (0.52) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL10628247 | 0.93 | ALDH1A1 (0.52) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL3493177 | 0.93 | ALDH1A1 (0.52) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL18202965 | 0.89 | CA1 (0.48) | CA1CA2CA9CA12ALDH1A1 | |
| SCHEMBL15805069 | 0.89 | CA1 (0.48) | CA1CA2CA9CA12ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0015604-B1 | COMPOUNDS AND COMPOSITIONS FOR USE IN INHIBITION OF LIPOGENESIS IN MAMMALS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-02-23 | — | — | EP | disclosed |
| EP-0015604-A1 | Compounds and compositions for use in inhibition of lipogenesis in mammals | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1980-09-17 | — | — | EP | disclosed |
| US-4202902-A | VETERINARY MEDICINE | SHELL OIL COMPANY (US) | 1980-05-13 | — | — | US | disclosed |