Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.56 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.56 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2583354 | 0.88 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL2585784 | 0.83 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL4581418 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL29049269 | 0.81 | ALDH1A1 (0.71) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL27716219 | 0.81 | ALDH1A1 (0.71) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL2455799 | 0.81 | ALDH1A1 (0.67) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL472689 | 0.80 | ALDH1A1 (0.89) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL21114418 | 0.80 | ALDH1A1 (0.89) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL29399469 | 0.80 | ALDH1A1 (0.89) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| Bis(2-Ethylhexyl) Phthalate SCHEMBL28278055 | 0.80 | ALDH1A1 (0.89) | ALDH1A1CYP3A4CA2LMNAPRSS1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1873198-A1 | Mixtures of alkyl esters and benzyl esters of polycarboxylic acids | Lanxess Deutschland GmbH (DE) | 2008-01-02 | — | — | EP | disclosed |