Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.55 |
| ▸ | CNR2 | P34972 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | VNN1 | O95497 | 1/20 | 0.46 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6864466 | 0.94 | TAAR1 (0.50) | SRCSLC1A1CES2CES1CASP3 | |
| SCHEMBL27814786 | 0.85 | FFAR1 (0.49) | SRCCNR2SIGMAR1SLC1A1MEN1 | |
| SCHEMBL8053109 | 0.85 | VNN1 (0.49) | SRCSLC1A1CES2CES1CASP3 | |
| SCHEMBL9113 | 0.84 | AKR1B1 (0.58) | SRCCNR2SLC1A1AKR1B1POLB | |
| SCHEMBL20616356 | 0.84 | AKR1B1 (0.64) | SRCCNR2SIGMAR1SLC1A1CES2 | |
| SCHEMBL3371173 | 0.83 | VNN1 (0.45) | SRCSLC1A1CES2CES1CASP3 | |
| SCHEMBL8498964 | 0.83 | VNN1 (0.48) | SLC1A1CASP3CASP7MEN1KMT2A | |
| SCHEMBL2999227 | 0.83 | VNN1 (0.48) | SRCSIGMAR1SLC1A1CASP3CASP7 | |
| Hydrochloric Acid SCHEMBL2531929 | 0.82 | AKR1B1 (0.56) | SRCCNR2SLC1A1AKR1B1NR4A2 | |
| SCHEMBL28191412 | 0.82 | ALDH1A1 (0.62) | CNR2CES2CES1AKR1B1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0006359-B1 | USE OF 1-ALKYL-3-PHENYLPYRIDINIUM SALTS AS HERBICIDES AND HERBICIDAL FORMULATIONS CONTAINING THE SALTS | ELI LILLY AND COMPANY (US) | 1983-09-28 | — | — | EP | disclosed |
| US-4218238-A | Herbicidal 1-alkyl-3-phenylpyridinium salts | ELI LILLY AND COMPANY (US) | 1980-08-19 | — | — | US | disclosed |
| EP-0006359-A1 | Use of 1-alkyl-3-phenylpyridinium salts as herbicides and herbicidal formulations containing the salts | ELI LILLY AND COMPANY (US) | 1980-01-09 | — | — | EP | disclosed |
| US-4174209-A | Herbicidal 1-alkyl-3-phenylpyridinium salts | ELI LILLY AND COMPANY (US) | 1979-11-13 | — | — | US | disclosed |