Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9562993 | 0.86 | CYP1A2 (0.41) | CYP1A2ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL16160330 | 0.86 | CYP1A2 (0.44) | CYP1A2ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL9082975 | 0.86 | ALOX5 (0.44) | CYP1A2ALDH1A1KDM4E | |
| SCHEMBL13851482 | 0.86 | ALOX5 (0.44) | CYP1A2ALDH1A1KDM4E | |
| SCHEMBL13851483 | 0.86 | ALOX5 (0.44) | CYP1A2ALDH1A1KDM4E | |
| SCHEMBL9562994 | 0.85 | CYP1A2 (0.41) | CYP1A2ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL9562977 | 0.81 | ADORA3 (0.45) | CYP1A2ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL9562995 | 0.81 | CYP1A2 (0.36) | CYP1A2ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL9755676 | 0.80 | PPARA (0.47) | CYP1A2ALDH1A1KDM4EADORA3ADORA1 | |
| SCHEMBL7936610 | 0.80 | KMT2A (0.43) | ADORA3KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5346880-A | Pre- and postemergence | NIHON BAYER AGROCHEM K.K. (JP) | 1994-09-13 | — | — | US | disclosed |
| EP-0565951-A1 | Herbicidally active pyrimidinylthioalkane derivatives | NIHON BAYER AGROCHEM K.K. (JP) | 1993-10-20 | — | — | EP | disclosed |