Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20838328 | 0.91 | CA2 (0.39) | CES2CES1HDAC1HDAC2CHRM1 | |
| SCHEMBL22110985 | 0.86 | TDP1 (0.32) | CES2CES1HDAC1HDAC2CHRM1 | |
| SCHEMBL22111104 | 0.83 | TDP1 (0.33) | CES2CES1HDAC1HDAC2CHRM1 | |
| SCHEMBL20838320 | 0.82 | CES2 (0.41) | CES2CES1HDAC1HDAC2TDP1 | |
| SCHEMBL28311158 | 0.82 | CES2 (0.41) | CES2CES1HDAC1HDAC2TDP1 | |
| SCHEMBL12559017 | 0.78 | CYP2C19 (0.43) | HDAC1HDAC2CHRM1AKR1A1CHRM3 | |
| SCHEMBL6064456 | 0.78 | TRPV1 (0.44) | CES2CES1HDAC1HDAC2CHRM1 | |
| SCHEMBL8896681 | 0.78 | TSHR (0.44) | CES2CES1HDAC1HDAC2CHRM1 | |
| SCHEMBL11475343 | 0.78 | CA2 (0.55) | TDP1TSHRCYP3A4ALDH1A1CA2 | |
| SCHEMBL2991348 | 0.78 | KMT2A (0.52) | CES2CES1TDP1TSHRALDH1A1 |
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-0531715-B1 | Process for producing alcohols and ketones | SUMITOMO CHEMICAL CO (JP) | 1997-11-05 | — | — | EP | disclosed |
| US-5426237-A | Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde | SUMITOMO CHEMICAL CO., LTD. (JP) | 1995-06-20 | — | — | US | disclosed |
| EP-0531715-A1 | Process for producing alcohols and ketones | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1993-03-17 | — | — | EP | disclosed |