Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.46 |
| ▸ | CHRNG | P07510 | 1/20 | 0.46 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | CHRND | Q07001 | 1/20 | 0.46 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL14982171 | 0.85 | PIM1 (0.52) | CES2CES1RAB9AMAOAMAOB | |
| SCHEMBL16064398 | 0.85 | HDAC1 (0.59) | RAB9AMEN1KMT2AKCNQ3KCNQ2 | |
| SCHEMBL8281122 | 0.84 | HDAC1 (0.41) | CES2CES1DPP4RAB9AMEN1 | |
| SCHEMBL2256181 | 0.84 | TAS1R3 (0.49) | TAS1R3TAS1R1TAS1R2RAB9AMAOA | |
| Acetoacetic Acid SCHEMBL28005292 | 0.83 | CES2 (0.46) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL2582326 | 0.82 | CES1 (0.57) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL25193546 | 0.81 | MEN1 (0.54) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL16376271 | 0.81 | HTT (0.63) | TAS1R3TAS1R1RAB9AMEN1KMT2A | |
| SCHEMBL29654061 | 0.80 | CES2 (0.59) | CES2CES1CHRNA1CHRNGCHRNB1 | |
| SCHEMBL633278 | 0.80 | CES2 (0.59) | CES2CES1CHRNA1CHRNGCHRNB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |