Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 2/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7398358 | 0.86 | HPSE (0.57) | ALDH1A1KDM4EHPGDHPSEAURKA | |
| SCHEMBL7402117 | 0.86 | KDM4E (0.61) | ALDH1A1KDM4EHPGDNPC1RAB9A | |
| SCHEMBL7396027 | 0.82 | HPSE (0.49) | ALDH1A1KDM4EHPGDHPSECHEK2 | |
| SCHEMBL7388362 | 0.81 | KDM4E (0.44) | ALDH1A1KDM4EAURKASMN1; SMN2HDAC6 | |
| SCHEMBL7389940 | 0.81 | ALDH1A1 (0.71) | ALDH1A1KDM4EHPGDHPSEAURKA | |
| SCHEMBL7388752 | 0.80 | KDM4E (0.46) | ALDH1A1KDM4EHPGDCHEK2NPC1 | |
| SCHEMBL7486513 | 0.77 | HPSE (0.45) | ALDH1A1KDM4EHPGDHPSEAURKA | |
| SCHEMBL7396372 | 0.77 | RAB9A (0.53) | ALDH1A1CHEK2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL259503 | 0.73 | KDM4C (0.51) | ALDH1A1HPGDNPC1RAB9APDE5A | |
| SCHEMBL9634789 | 0.73 | MEN1 (0.47) | ALDH1A1KDM4EHPGDAURKACHEK2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001066526-A1 | ESTER DERIVATIVES OF DIMETHYLPROPIONIC ACID AND PHARMACETUICAL COMPOSITIONS CONTAINING THEM | CERMOL S.A. (CH) | 2001-09-13 | — | — | WO | claimed |
| EP-1132381-A1 | Ester derivatives of dimethylpropionic acid and pharmaceutical compositions containing them | CERMOL S.A. (CH) | 2001-09-12 | — | — | EP | claimed |
| WO-2001066526-A1 | ESTER DERIVATIVES OF DIMETHYLPROPIONIC ACID AND PHARMACETUICAL COMPOSITIONS CONTAINING THEM | CERMOL S.A. (CH) | 2001-09-13 | — | — | WO | disclosed |
| EP-1132381-A1 | Ester derivatives of dimethylpropionic acid and pharmaceutical compositions containing them | CERMOL S.A. (CH) | 2001-09-12 | — | — | EP | disclosed |