Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 3/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.36 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5376614 | 0.85 | ALDH1A1 (0.48) | CYP2A6ALDH1A1MAPK1TAAR1DPP4 | |
| SCHEMBL9720402 | 0.82 | CYP2A6 (0.58) | CYP2A6ALDH1A1LMNANPY1RNPY2R | |
| SCHEMBL10988341 | 0.80 | CYP2A6 (0.56) | CYP2A6ALDH1A1LMNANPY1RNPY2R | |
| SCHEMBL27856687 | 0.80 | CYP2A6 (0.56) | CYP2A6ALDH1A1LMNANPY1RNPY2R | |
| SCHEMBL28396527 | 0.78 | CYP2A6 (0.54) | CYP2A6ALDH1A1LMNANPY1RNPY2R | |
| SCHEMBL11038800 | 0.78 | CYP2A6 (0.43) | CYP2A6ALDH1A1LMNANPY1RNPY2R | |
| SCHEMBL31097818 | 0.78 | CYP2A6 (0.54) | CYP2A6ALDH1A1LMNANPY1RNPY2R | |
| SCHEMBL5501718 | 0.78 | ALDH1A1 (0.44) | CYP2A6ALDH1A1MAPK1CSNK2A1DPP4 | |
| SCHEMBL9770 | 0.78 | TAAR1 (0.50) | CYP2A6ALDH1A1LMNASMN1; SMN2MAPK1 | |
| SCHEMBL5858344 | 0.78 | DPP4 (0.47) | CYP2A6ALDH1A1MAPK1DPP4PDCD1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006129120-A9 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-03-22 | — | — | WO | disclosed |
| WO-2006129120-A2 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2006-12-07 | — | — | WO | disclosed |
| US-4536591-A | Insecticidal [1,1'-biphenyl]-3-ylmethyl esters | FMC CORPORATION (US) | 1985-08-20 | — | — | US | disclosed |
| US-4507317-A | Acaricidal 2,2'-bridged[1,1'-biphenyl]-3-ylmethyl esters | FMC CORPORATION (US) | 1985-03-26 | — | — | US | disclosed |
| US-4451484-A | ALSO MITICIDES | FMC CORPORATION (US) | 1984-05-29 | — | — | US | disclosed |
| US-4433182-A | Insecticidal 2,2'-bridged[1,1'-biphenyl]-3-ylmethyl esters | FMC CORPORATION (US) | 1984-02-21 | — | — | US | disclosed |
| US-4402973-A | Insecticidal (1,1'-biphenyl)-3-ylmethyl esters | FMC CORPORATION (US) | 1983-09-06 | — | — | US | disclosed |
| US-4329518-A | INSECTICIDES, ACARICIDES, MITICIDES | FMC CORPORATION (US) | 1982-05-11 | — | — | US | disclosed |
| EP-0049977-A1 | Insecticidal (1,1'-biphenyl)-3-ylmethyl esters, their production and use and compositions containing them | FMC Corporation (US) | 1982-04-21 | — | — | EP | disclosed |