Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9619773 | 0.84 | TAAR1 (0.38) | TAAR1CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL9619879 | 0.84 | TAAR1 (0.38) | TAAR1CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL9619923 | 0.80 | TAAR1 (0.50) | TAAR1MAPK1CYP2C19HIF1A | |
| SCHEMBL9619732 | 0.72 | TAAR1 (0.42) | TAAR1MAPK1CYP2C19HIF1A | |
| SCHEMBL9619820 | 0.72 | TAAR1 (0.42) | TAAR1MAPK1CYP2C19 | |
| SCHEMBL9619728 | 0.69 | TSHR (0.41) | TAAR1MAPK1 | |
| SCHEMBL11683594 | 0.69 | TAAR1 (0.50) | TAAR1MAPK1CYP2C19HIF1A | |
| SCHEMBL11683785 | 0.68 | TAAR1 (0.54) | TAAR1MAPK1CYP2C19HIF1A | |
| Fluoride SCHEMBL9619881 | 0.67 | TAAR1 (0.40) | TAAR1CYP2E1CYP2A6CYP2B6MAPK1 | |
| Bromide SCHEMBL9619776 | 0.67 | TAAR1 (0.40) | TAAR1CYP2E1CYP2A6CYP2B6MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0214842-B1 | ORGANOTIN COMPOUNDS AND PESTICIDES CONTAINING THEM | SHIONOGI & CO., LTD. (JP) | 1992-02-05 | — | — | EP | disclosed |
| US-4935408-A | Organotin compounds and pesticides containing them | SHIONOGI & CO., LTD. (JP) | 1990-06-19 | — | — | US | disclosed |
| US-4774235-A | MITICIDES | SHIONOGI & CO., LTD. (JP) | 1988-09-27 | — | — | US | disclosed |
| EP-0214842-A2 | Organotin compounds and pesticides containing them | SHIONOGI & CO., LTD. (JP) | 1987-03-18 | — | — | EP | disclosed |