Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL9562987 | 0.96 | ADORA3 (0.36) | ADORA3ADORA1ALDH1A1CYP1A2KDM4E | |
| SCHEMBL9563039 | 0.90 | ADORA3 (0.36) | ADORA3ADORA1ALDH1A1KDM4E | |
| SCHEMBL9562996 | 0.86 | ADORA3 (0.37) | ADORA3ADORA1ALDH1A1KDM4E | |
| SCHEMBL9563025 | 0.86 | ALDH1A1 (0.35) | ADORA3ADORA1ALDH1A1CYP1A2KDM4E | |
| SCHEMBL9459644 | 0.65 | ALDH1A1 (0.60) | ADORA3ADORA1ALDH1A1CYP1A2KDM4E | |
| SCHEMBL9562988 | 0.64 | ADORA3 (0.38) | ADORA3ADORA1ALDH1A1CYP1A2KDM4E | |
| SCHEMBL8686002 | 0.63 | CYP1A2 (0.50) | ALDH1A1CYP1A2KDM4E | |
| SCHEMBL6641067 | 0.61 | POLB (0.60) | ADORA3ADORA1ALDH1A1CYP1A2KDM4E | |
| SCHEMBL9637668 | 0.61 | ALDH1A1 (0.40) | ALDH1A1CYP1A2KDM4E | |
| SCHEMBL12479800 | 0.60 | CYP1A2 (0.47) | ALDH1A1CYP1A2KDM4E |
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 |