Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 5/20 | 0.43 |
| ▸ | ACHE | P22303 | 5/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | RRM1 | P23921 | 1/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4968472 | 0.86 | PPARG (0.39) | ALDH1A1PPARGGAAAKR1B10AKR1B1 | |
| SCHEMBL28211115 | 0.85 | PPARG (0.39) | ALDH1A1PPARGGAAAKR1B10AKR1B1 | |
| SCHEMBL15901615 | 0.84 | TDP1 (0.41) | ALDH1A1PPARGGAAKDM4EAKR1B10 | |
| Cinnamic Acid SCHEMBL11638446 | 0.84 | BCHE (0.51) | ALDH1A1BCHEACHECHRM1AKR1B10 | |
| SCHEMBL28322996 | 0.83 | THRB (0.55) | ALDH1A1PPARGGAAKDM4EAKR1B10 | |
| Vinylsulfonic Acid SCHEMBL28072676 | 0.82 | PPARG (0.37) | ALDH1A1PPARGGAAKDM4EAKR1B10 | |
| Styrene SCHEMBL446411 | 0.82 | CHRM1 (0.43) | ALDH1A1BCHEACHECHRM1CHRM2 | |
| SCHEMBL5397617 | 0.81 | BCHE (0.43) | ALDH1A1BCHEACHECHRM1CHRM2 | |
| Styrene SCHEMBL5397619 | 0.80 | CHRM1 (0.41) | ALDH1A1BCHEACHECHRM1CHRM2 | |
| SCHEMBL15901721 | 0.80 | HTT (0.38) | ALDH1A1PPARGGAAKDM4EAKR1B10 |
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-4938803-A | Nonhydrolyzing | NALCO CHEMICAL COMPANY (US) | 1990-07-03 | — | — | US | claimed |