Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11223303 | 0.88 | CES2 (0.41) | CES2CES1HDAC1HDAC6ACHE | |
| SCHEMBL778059 | 0.81 | CES2 (0.43) | CES2CES1HDAC1HDAC6ACHE | |
| SCHEMBL31258324 | 0.81 | CES2 (0.43) | CES2CES1HDAC1HDAC6ACHE | |
| SCHEMBL7775624 | 0.77 | CA12 (0.47) | CES2CES1HDAC1HDAC6ACHE | |
| SCHEMBL4126405 | 0.77 | PGK1 (0.53) | CES2CES1HDAC1HDAC6ACHE | |
| SCHEMBL30586458 | 0.77 | PGK1 (0.53) | CES2CES1HDAC1HDAC6ACHE | |
| SCHEMBL778064 | 0.77 | ACHE (0.44) | CES2CES1HDAC1HDAC6ACHE | |
| SCHEMBL663085 | 0.76 | PGK1 (0.52) | CES2CES1HDAC1HDAC6ACHE | |
| SCHEMBL8915062 | 0.76 | NFE2L2 (0.42) | CES2CES1HDAC1HDAC6ACHE | |
| Zinc Ion SCHEMBL663084 | 0.76 | CES2 (0.39) | CES2CES1HDAC1HDAC6ACHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-0019401-B1 | PROCESS FOR PREPARING ENAMINE DERIVATIVES, COMPOUNDS SO PRODUCED AND PROCESS FOR PREPARING A 3-HYDROXY-CEPHALOSPORIN | Lilly Industries Limited (GB) | 1984-03-21 | — | — | EP | disclosed |
| US-4301280-A | Preparation of 3-substituted cephalosporins | LILLY INDUSTRIES LIMITED (GB) | 1981-11-17 | — | — | US | disclosed |
| EP-0019401-A1 | Process for preparing enamine derivatives, compounds so produced and process for preparing a 3-hydroxy-cephalosporin | Lilly Industries Limited (GB) | 1980-11-26 | — | — | EP | disclosed |
| US-4212757-A | Peroxygen bleaching and compositions therefor | FMC CORPORATION (US) | 1980-07-15 | — | — | US | disclosed |