Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.65 |
| ▸ | CES1 | P23141 | 2/20 | 0.65 |
| ▸ | GSK3B | P49841 | 2/20 | 0.63 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.50 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.49 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8534398 | 0.86 | GSK3B (0.66) | CES2CES1GSK3BSRD5A2NR4A1 | |
| SCHEMBL2075210 | 0.84 | GSK3B (0.63) | CES2CES1GSK3BSRD5A2NR4A1 | |
| SCHEMBL10847368 | 0.83 | CES2 (0.69) | CES2CES1GSK3BSRD5A2NR4A1 | |
| SCHEMBL21456599 | 0.82 | KDM4E (0.43) | CES2CES1GSK3BHPGDTSHR | |
| SCHEMBL19520441 | 0.82 | GSK3B (0.61) | CES2CES1GSK3BSRD5A2NR4A1 | |
| SCHEMBL21565745 | 0.82 | GSK3B (0.61) | CES2CES1GSK3BSRD5A2NR4A1 | |
| SCHEMBL5951864 | 0.82 | GSK3B (0.61) | CES2CES1GSK3BSRD5A2NR4A1 | |
| SCHEMBL19866845 | 0.82 | GSK3B (0.61) | CES2CES1GSK3BSRD5A2NR4A1 | |
| SCHEMBL786834 | 0.82 | GSK3B (0.72) | CES2CES1GSK3BSRD5A2NR4A1 | |
| SCHEMBL14392841 | 0.82 | GSK3B (0.61) | CES2CES1GSK3BSRD5A2NR4A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108083999-B | Green preparation method of alpha-hydroxyketone | 西北师范大学 | 2020-08-11 | — | — | CN | disclosed |
| EP-0617031-B1 | Orally active azole derivates | URIACH & CIA SA J (ES) | 1998-09-16 | — | — | EP | disclosed |
| US-5760245-A | FUNGICIDES | J. URIACH & CIA S.A. (ES) | 1998-06-02 | — | — | US | disclosed |
| US-5646294-A | FUNGICIDES | J. URIACH & CIA. S.A. (ES) | 1997-07-08 | — | — | US | disclosed |
| US-5478826-A | Fungicides for human, animal and plants | J. URIACH & CIA. S.A. (ES) | 1995-12-26 | — | — | US | disclosed |
| EP-0617031-A1 | Orally active azole derivates | J. URIACH & CIA. S.A. (ES) | 1994-09-28 | — | — | EP | disclosed |
| EP-0612734-A1 | Novel orally active antifungal agents | J. URIACH & CIA. S.A. (ES) | 1994-08-31 | — | — | EP | disclosed |