Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | GAA | P10253 | 3/20 | 0.64 |
| ▸ | OGG1 | O15527 | 2/20 | 0.52 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.47 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10722783 | 0.86 | ALDH1A1 (0.50) | ALDH1A1GAAPGRPTGS1MAPK1 | |
| SCHEMBL31376353 | 0.83 | ALDH1A1 (0.49) | ALDH1A1GAAOGG1PGRPTGS1 | |
| SCHEMBL5941038 | 0.83 | ALDH1A1 (0.49) | ALDH1A1GAAOGG1PGRPTGS1 | |
| SCHEMBL11259835 | 0.82 | TSHR (0.56) | ALDH1A1MAPTTSHR | |
| SCHEMBL10631675 | 0.82 | TSHR (0.56) | ALDH1A1MAPTTSHR | |
| SCHEMBL23691076 | 0.82 | SMN1; SMN2 (0.52) | ALDH1A1GAAPGRPTGS1MAPK1 | |
| Benzene SCHEMBL27947280 | 0.81 | PPARG (0.50) | ALDH1A1GAAOGG1PGRPTGS1 | |
| SCHEMBL11866215 | 0.81 | OGG1 (0.52) | ALDH1A1GAAOGG1PGRPTGS1 | |
| SCHEMBL2922977 | 0.81 | PPARG (0.64) | ALDH1A1GAAPGRPTGS1MAPK1 | |
| SCHEMBL16933413 | 0.81 | PPARG (0.64) | ALDH1A1GAAPGRPTGS1MAPK1 |
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-3972905-A | FUNGICIDE | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-03 | — | — | US | disclosed |