Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 3/20 | 0.47 |
| ▸ | PPARA | Q07869 | 3/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | CDC42 | P60953 | 1/20 | 0.46 |
| ▸ | RAC1 | P63000 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9750747 | 0.97 | TDP1 (0.56) | TDP1CYP1A2GAACYP2C9PKM | |
| SCHEMBL637870 | 0.85 | CYP1A2 (0.67) | TDP1CYP1A2GAACYP2C9PKM | |
| SCHEMBL502837 | 0.85 | CYP1A2 (0.67) | TDP1CYP1A2GAACYP2C9PKM | |
| SCHEMBL3848321 | 0.85 | CYP1A2 (0.67) | TDP1CYP1A2GAACYP2C9PKM | |
| SCHEMBL20045393 | 0.84 | CYP1A2 (0.66) | TDP1CYP1A2GAACYP2C9PKM | |
| SCHEMBL2597632 | 0.84 | CYP1A2 (0.66) | TDP1CYP1A2GAACYP2C9PKM | |
| SCHEMBL5597362 | 0.83 | CYP1A2 (0.65) | TDP1CYP1A2GAACYP2C9PKM | |
| Hydrochloric Acid SCHEMBL3128493 | 0.83 | CYP1A2 (0.65) | TDP1CYP1A2GAACYP2C9PKM | |
| SCHEMBL10706539 | 0.83 | CYP1A2 (0.65) | TDP1CYP1A2GAACYP2C9PKM | |
| SCHEMBL1984871 | 0.83 | CYP1A2 (0.65) | TDP1CYP1A2GAACYP2C9PKM |
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-5079384-A | Weed killers, destroy broad leaf plants, postemergence | BAYER AKTIENGESELLSCHAFT (DE) | 1992-01-07 | — | — | US | disclosed |