Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | PTGES | O14684 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20835340 | 0.88 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CA2LMNAATM | |
| SCHEMBL77808 | 0.86 | CYP3A4 (0.42) | ALDH1A1CYP3A4CA2LMNAATM | |
| SCHEMBL2952892 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CA2LMNAATM | |
| SCHEMBL295015 | 0.84 | CA2 (0.34) | ALDH1A1CYP3A4CA2LMNAATM | |
| SCHEMBL20835341 | 0.84 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CA2LMNAATM | |
| SCHEMBL7691038 | 0.82 | PRSS1 (0.38) | ALDH1A1CYP3A4CA2LMNAATM | |
| SCHEMBL4594117 | 0.81 | CYP3A4 (0.35) | ALDH1A1CYP3A4CA2LMNAATM | |
| SCHEMBL547105 | 0.81 | PTGES (0.41) | PTGESALOX5PPARGMAPTNPC1 | |
| SCHEMBL19834895 | 0.79 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CA2LMNAATM | |
| SCHEMBL30772441 | 0.79 | FOLH1 (0.39) | ALDH1A1GAAPTGESALOX5PPARG |
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-5777113-A | Hals phosphorinanes as stabilisers | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 1998-07-07 | — | — | US | disclosed |