Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | IAPP | P10997 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27780938 | 0.86 | TDP1 (0.41) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL8897573 | 0.86 | CES2 (0.38) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL29033869 | 0.84 | CES2 (0.36) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL8896602 | 0.83 | KMT2A (0.45) | ALDH1A1CES2CES1TSHRHSD17B10 | |
| SCHEMBL18670992 | 0.83 | KMT2A (0.55) | ALDH1A1CES2CES1TSHRHSD17B10 | |
| SCHEMBL10014775 | 0.80 | CES2 (0.41) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL5705429 | 0.80 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL1783764 | 0.78 | ALDH1A1 (0.43) | ALDH1A1CES2CES1HDAC3HDAC1 | |
| SCHEMBL3966023 | 0.78 | FFAR3 (0.50) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL20489971 | 0.78 | ALDH1A1 (0.39) | ALDH1A1CES2CES1HDAC3HDAC1 |
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 |