Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | KHK | P50053 | 1/20 | 0.37 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.37 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.37 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | USP14 | P54578 | 1/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL8300964 | 0.82 | TRPV4 (0.48) | TRPV4CNR2 | |
| SCHEMBL24710385 | 0.81 | ALDH1A1 (0.54) | ALDH1A1ALOX15POLB | |
| SCHEMBL8004361 | 0.81 | TRPV4 (0.47) | TRPV4KHKKCNQ3KCNQ2KCNE1 | |
| SCHEMBL5495032 | 0.81 | TRPV4 (0.52) | TRPV4KHKCYP11B2CYP11B1PDE4A | |
| SCHEMBL8299340 | 0.81 | TRPV4 (0.47) | TRPV4ALDH1A1GRM4CYP11B2CYP11B1 | |
| SCHEMBL17192827 | 0.79 | VCAM1 (0.43) | ALDH1A1ALOX15AKR1B1POLB | |
| SCHEMBL7752581 | 0.78 | TRPV4 (0.44) | TRPV4ALDH1A1KHKGRM4CYP11B2 | |
| SCHEMBL457385 | 0.77 | ALDH1A1 (0.50) | ALDH1A1ALOX15CYP11B2CYP11B1POLB | |
| SCHEMBL29470949 | 0.77 | ALDH1A1 (0.50) | ALDH1A1ALOX15CYP11B2CYP11B1POLB | |
| SCHEMBL15920675 | 0.77 | GAA (0.44) | TRPV4GRM4POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000008000-A1 | USE OF SUBSTITUTED TRIAZINONES AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-02-17 | — | — | WO | disclosed |
| EP-0906285-A1 | 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES | BAYER AG (DE) | 1999-04-07 | — | — | EP | disclosed |
| EP-0897383-A1 | 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES | BAYER AG (DE) | 1999-02-24 | — | — | EP | disclosed |
| WO-1997046535-A1 | 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-12-11 | — | — | WO | disclosed |
| WO-1997040018-A1 | 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-10-30 | — | — | WO | disclosed |