Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | HRH1 | P35367 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20838316 | 0.91 | CA2 (0.52) | ALDH1A1CA2ACHEPAOXTDP1 | |
| SCHEMBL30914727 | 0.89 | FFAR4 (0.46) | ALDH1A1TDP1CYP3A4TSHRATM | |
| SCHEMBL15402211 | 0.87 | FFAR4 (0.48) | ALDH1A1TDP1TSHRCES1LMNA | |
| SCHEMBL22602510 | 0.86 | LMNA (0.52) | CA2NFKB1CES1LMNACES2 | |
| SCHEMBL17676330 | 0.85 | CA2 (0.46) | CA2HDAC1HDAC2NFKB1CES1 | |
| SCHEMBL14899675 | 0.84 | TSHR (0.48) | ALDH1A1CA2PAOXTDP1CYP3A4 | |
| SCHEMBL12424311 | 0.83 | CA2 (0.47) | ALDH1A1CA2ACHEPAOXTDP1 | |
| SCHEMBL6677823 | 0.83 | CA2 (0.48) | ALDH1A1CA2PAOXTDP1CYP3A4 | |
| SCHEMBL16023959 | 0.82 | LMNA (0.52) | ALDH1A1TDP1TSHRCES1LMNA | |
| SCHEMBL22508530 | 0.81 | MEN1 (0.33) | ALDH1A1CA2ACHEPAOXTDP1 |
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 |