Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.35 |
| ▸ | KCNQ4 | P56696 | 2/20 | 0.35 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.35 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8333678 | 0.80 | ALDH1A1 (0.50) | NLRP3ARCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL5847244 | 0.79 | NLRP3 (0.49) | NLRP3ARCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6662088 | 0.77 | NLRP3 (0.44) | NLRP3ARCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL404508 | 0.76 | NLRP3 (0.51) | NLRP3ARCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6663679 | 0.76 | CYP1A2 (0.39) | CYP1A2CYP2C9CYP2C19SMN1; SMN2ALDH1A1 | |
| SCHEMBL406273 | 0.74 | NLRP3 (0.49) | NLRP3ARCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24825600 | 0.71 | SMN1; SMN2 (0.52) | NLRP3CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL405701 | 0.71 | NLRP3 (0.49) | NLRP3CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL462816 | 0.70 | AR (0.47) | NLRP3ARCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6593319 | 0.70 | GAA (0.45) | NLRP3ARCYP1A2CYP2C9CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6110870-A | SELECTIVE HERBICIDE FOR KILLING WEEDS BUT NOT OF A WHEAT, CORN OR SOYBEAN CROP, COMPOUNDS SUCH AS 1-(4-CYANO-2,5-DIFLUORO-PHENYL)-3,6-DIHYDRO-2,6-DIOXO-3-ETHYL-4 -TRIFLUOROMETHYL-1(2H)-PYRIMIDINE | BAYER AKTIENGESELLSCHAFT (DE) | 2000-08-29 | — | — | US | disclosed |
| EP-0648749-B1 | N-cyanoaryl nitrogencontaining heterocycles | BAYER AG (DE) | 1997-12-10 | — | — | EP | disclosed |
| US-5681794-A | HERBICIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1997-10-28 | — | — | US | disclosed |
| US-5593945-A | HERBICIDES AND CHEMICAL INTERMEDIATES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-01-14 | — | — | US | disclosed |
| EP-0648749-A2 | N-cynanoaryl nitrogencontaining heterocycles | BAYER AG (DE) | 1995-04-19 | — | — | EP | disclosed |