Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL4581418 | 0.88 | ALDH1A1 (0.49) | ALDH1A1CYP3A4TDP1MAPK1CA2 | |
| SCHEMBL28071901 | 0.83 | TSHR (0.54) | ALDH1A1CYP3A4TDP1MAPK1CA2 | |
| SCHEMBL25280291 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TDP1MAPK1CA2 | |
| SCHEMBL9799225 | 0.82 | ESR1 (0.42) | ALDH1A1CYP3A4TDP1MAPK1CA2 | |
| SCHEMBL2583354 | 0.81 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TDP1MAPK1CA2 | |
| SCHEMBL7878129 | 0.80 | CA2 (0.46) | ALDH1A1CYP3A4TDP1MAPK1CA2 | |
| Benzoic Acid SCHEMBL15918863 | 0.79 | ALDH1A1 (0.47) | ALDH1A1CYP3A4MAPK1CA2TSHR | |
| SCHEMBL29523183 | 0.77 | TSHR (0.44) | ALDH1A1CYP3A4TDP1MAPK1CA2 | |
| SCHEMBL108345 | 0.77 | TSHR (0.44) | ALDH1A1CYP3A4TDP1MAPK1CA2 | |
| SCHEMBL8959367 | 0.77 | CA2 (0.46) | ALDH1A1CYP3A4TDP1MAPK1CA2 |
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 |