Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9563037 | 0.89 | ALDH1A1 (0.38) | ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL9563004 | 0.85 | CYP1A2 (0.34) | CYP1A2ALDH1A1KDM4ESLC6A3 | |
| SCHEMBL9562989 | 0.79 | CYP1A2 (0.37) | CYP1A2ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL9563028 | 0.77 | CYP1A2 (0.38) | CYP1A2ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL9563014 | 0.77 | CYP1A2 (0.33) | CYP1A2ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL9562992 | 0.75 | ALDH1A1 (0.34) | CYP1A2ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL9563035 | 0.75 | ALDH1A1 (0.35) | ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL9563019 | 0.73 | ALDH1A1 (0.35) | CYP1A2ALDH1A1KDM4EADORA3 | |
| SCHEMBL9401416 | 0.72 | CYP1A2 (0.42) | CYP1A2ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL9562993 | 0.71 | CYP1A2 (0.41) | CYP1A2ALDH1A1KDM4EADORA3ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0573837-A1 | Acetal-containing pyrimidinylthioaliphatic acid derivatives useful as herbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1993-12-15 | — | — | EP | disclosed |