Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | FOS | P01100 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | JUN | P05412 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20735158 | 0.85 | ALDH1A1 (0.67) | ALDH1A1PPARGPPARDPPARAPTGS1 | |
| SCHEMBL12806458 | 0.80 | PTGS2 (0.48) | ALDH1A1GAACA2FOSTTR | |
| SCHEMBL30644304 | 0.80 | ALDH1A1 (0.69) | ALDH1A1PPARGPPARDPPARAPTGS1 | |
| SCHEMBL557409 | 0.80 | ALDH1A1 (0.69) | ALDH1A1PPARGPPARDPPARAPTGS1 | |
| SCHEMBL16953889 | 0.79 | THRB (0.48) | CYP3A4CA2FOSTTRJUN | |
| SCHEMBL8233467 | 0.79 | CA2 (0.42) | ALDH1A1PPARGPPARDPPARACYP3A4 | |
| SCHEMBL30842461 | 0.79 | TTR (0.50) | ALDH1A1PPARGPPARDPPARAMEN1 | |
| SCHEMBL30842447 | 0.79 | THRB (0.48) | CYP3A4CA2FOSTTRJUN | |
| SCHEMBL13548297 | 0.79 | FOS (0.50) | CYP3A4GAACA2FOSTTR | |
| SCHEMBL17540838 | 0.79 | KDM4E (0.46) | ALDH1A1GAACA2FOSTTR |
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 |
|---|---|---|---|---|---|---|---|
| US-7348345-B2 | Nonnucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2008-03-25 | — | — | US | disclosed |