Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | S100A4 | P26447 | 1/20 | 0.31 |
| ▸ | GPR35 | Q9HC97 | 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 | |
|---|---|---|---|---|
| SCHEMBL3636660 | 0.77 | MAPT (0.33) | ALDH1A1MAPTCASP7CASP6HTT | |
| SCHEMBL12647913 | 0.62 | MEN1 (0.35) | S100A4GPR35 | |
| SCHEMBL3083248 | 0.60 | S100A4 (0.48) | ALDH1A1MAPTHTTCYP1A2CYP2C9 | |
| SCHEMBL1502113 | 0.60 | S100A4 (0.48) | ALDH1A1MAPTHTTCYP1A2CYP2C9 | |
| SCHEMBL20985115 | 0.60 | S100A4 (0.48) | ALDH1A1MAPTHTTCYP1A2CYP2C9 | |
| SCHEMBL1194020 | 0.58 | TSHR (0.45) | ALDH1A1S100A4GPR35 | |
| SCHEMBL5860030 | 0.58 | S100A4 (0.46) | ALDH1A1MAPTHTTCYP1A2CYP2C9 | |
| Water SCHEMBL3516244 | 0.58 | S100A4 (0.46) | ALDH1A1MAPTHTTCYP1A2CYP2C9 | |
| SCHEMBL22288284 | 0.58 | S100A4 (0.46) | ALDH1A1MAPTHTTCYP1A2CYP2C9 | |
| SCHEMBL31123045 | 0.58 | S100A4 (0.46) | ALDH1A1MAPTHTTCYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0257296-B1 | 4-CYANO(NITRO)-5-OXY(THIO)-PYRAZOLE DERIVATIVES | BAYER AG (DE) | 1993-05-12 | — | — | EP | claimed |
| US-4770692-A | 4-cyano(nitro)-5-oxy(thio)-pyrazole derivatives, composition containing them, and herbicidal and plant growth regulating methods of using them | BAYER AKTIENGESELLSCHAFT (DE) | 1988-09-13 | — | — | US | disclosed |