Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | EDNRB | P24530 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9401510 | 0.88 | ALDH1A1 (0.34) | ALDH1A1LMNASMN1; SMN2ADORA3CYP1A2 | |
| SCHEMBL9383531 | 0.84 | ALDH1A1 (0.37) | ALDH1A1LMNASMN1; SMN2ADORA3ADORA1 | |
| SCHEMBL9384337 | 0.82 | ALDH1A1 (0.35) | ALDH1A1LMNASMN1; SMN2ADORA3CYP1A2 | |
| SCHEMBL9388882 | 0.82 | ADORA3 (0.37) | ALDH1A1LMNASMN1; SMN2ADORA3ADORA1 | |
| SCHEMBL9401226 | 0.81 | ALDH1A1 (0.33) | ALDH1A1LMNASMN1; SMN2ARADORA3 | |
| SCHEMBL9401365 | 0.81 | ALDH1A1 (0.35) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL9401358 | 0.81 | ALOX5 (0.39) | ALDH1A1LMNASMN1; SMN2ADORA3CYP1A2 | |
| SCHEMBL9401348 | 0.81 | ALDH1A1 (0.35) | ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL9401267 | 0.79 | ALOX5 (0.43) | ADORA3ADORA1 | |
| SCHEMBL9401258 | 0.79 | TP53 (0.46) | ALDH1A1LMNACYP1A2EDNRBEDNRA |
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 |