Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.38 |
| ▸ | CHRNG | P07510 | 1/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26088990 | 0.80 | CYP1A2 (0.46) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8040824 | 0.79 | CA1 (0.67) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8040828 | 0.79 | CA1 (0.67) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL12596961 | 0.78 | ALDH1A1 (0.47) | CYP1A2CES2CES1PTPN1PLA2G7 | |
| SCHEMBL30051010 | 0.78 | ALDH1A1 (0.47) | CYP1A2CES2CES1PTPN1PLA2G7 | |
| SCHEMBL1765078 | 0.77 | MAPT (0.46) | CYP1A2CES2CES1PTPN1PLA2G7 | |
| SCHEMBL7378259 | 0.75 | CA1 (0.67) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL7378257 | 0.75 | CA1 (0.67) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8046161 | 0.74 | TSHR (0.57) | CA12CA1CA2CA9CYP1A2 | |
| SCHEMBL8040827 | 0.74 | CA12 (0.55) | CA12CA1CA2CA9CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024078871-A1 | 1-PYRIDYL-5-PHENYLPYRAZOLYL-3-OXY- AND -3-THIOALKYL ACIDS AND DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH | BAYER AKTIENGESELLSCHAFT (DE) | 2024-04-18 | — | — | WO | disclosed |
| EP-4097087-A1 | [(1,4,5-TRISUBSTITUTED-1H-PYRAZOL-3-YL)SULFANYL]ACETIC ACID DERIVATIVES, SALTS THEREOF, AND USE THEREOF AS HERBICIDAL INGREDIENTS | Bayer Aktiengesellschaft (DE) | 2022-12-07 | — | — | EP | disclosed |
| CN-115003656-A | [ (1,4, 5-trisubstituted-1H-pyrazol-3-yl) sulfanyl ] acetic acid derivatives and salts thereof, and their use as active herbicidal agents | 拜耳公司 | 2022-09-02 | — | — | CN | disclosed |
| WO-2021151976-A1 | [(1,4,5-TRISUBSTITUTED-1H-PYRAZOL-3-YL)SULFANYL]ACETIC ACID DERIVATIVES, SALTS THEREOF, AND USE THEREOF AS HERBICIDAL INGREDIENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-08-05 | — | — | WO | disclosed |