Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | FPR1 | P21462 | 2/20 | 0.39 |
| ▸ | FPR2 | P25090 | 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 | |
|---|---|---|---|---|
| SCHEMBL490459 | 0.96 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL490721 | 0.85 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL490957 | 0.81 | CYP3A4 (0.53) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL490859 | 0.80 | TDP1 (0.47) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL490427 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL490955 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL490857 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CA2TDP1ATM | |
| SCHEMBL490522 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL27802013 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CA2LMNAPRSS1 | |
| SCHEMBL490513 | 0.76 | TDP1 (0.53) | 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-3322400-A1 | COMPOSITIONS OF FLUORINATED SURFACTANTS AND ANTIOXIDANTS | Merck Patent GmbH (DE) | 2018-05-23 | — | — | EP | disclosed |