Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 4/20 | 0.39 |
| ▸ | CNR2 | P34972 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL31447805 | 0.93 | CCR1 (0.44) | CCR1MEN1KMT2APPARGPPARA | |
| SCHEMBL10833080 | 0.91 | ESR1 (0.44) | CCR1MEN1KMT2AESR1ESR2 | |
| SCHEMBL17996055 | 0.88 | ACP3 (0.42) | MEN1KMT2ATRPA1SLC6A2SLC6A4 | |
| SCHEMBL1343597 | 0.88 | ACP3 (0.44) | MEN1KMT2ATRPA1SLC6A2SLC6A4 | |
| SCHEMBL9364530 | 0.84 | CCR1 (0.48) | CCR1PPARGPPARACNR1CNR2 | |
| SCHEMBL10833538 | 0.84 | CCR1 (0.40) | CCR1MEN1KMT2APPARGPPARA | |
| SCHEMBL10832340 | 0.84 | CNR2 (0.41) | CCR1MEN1KMT2ACNR1CNR2 | |
| SCHEMBL10834085 | 0.84 | CCR1 (0.49) | CCR1MEN1KMT2ACNR1ESR1 | |
| SCHEMBL31447688 | 0.83 | LMNA (0.42) | MEN1KMT2ASLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31447866 | 0.83 | SMN1; SMN2 (0.41) | MEN1KMT2ATRPA1ESR1ESR2 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102126988-A | Preparation method of 4-(4-chlorophenyl)-2-bromomethyl-2-phenylbutanenitrile | ZHANGJIAGANG HICOMER CHEMICALS CO LTD | 2011-07-20 | — | — | CN | claimed |
| CN-100522932-C | Preparation method of 2-bromomethyl-2-phenyl-4- (4-chlorphenyl) -butyronitrile | JIANGSU FENGDENG PESTICIDES CO (CN) | 2009-08-05 | — | — | CN | claimed |
| CN-101125822-A | Preparation method of 2-bromomethyl-2-phenyl-4- (4-chlorphenyl) -butyronitrile | JIANGSU FENGDENG PESTICIDES CO (CN) | 2008-02-20 | — | — | CN | claimed |
| CN-102126988-A | Preparation method of 4-(4-chlorophenyl)-2-bromomethyl-2-phenylbutanenitrile | ZHANGJIAGANG HICOMER CHEMICALS CO LTD | 2011-07-20 | — | — | CN | disclosed |
| CN-102126988-A | Preparation method of 4-(4-chlorophenyl)-2-bromomethyl-2-phenylbutanenitrile | ZHANGJIAGANG HICOMER CHEMICALS CO LTD | 2011-07-20 | — | — | CN | disclosed |
| CN-100522932-C | Preparation method of 2-bromomethyl-2-phenyl-4- (4-chlorphenyl) -butyronitrile | JIANGSU FENGDENG PESTICIDES CO (CN) | 2009-08-05 | — | — | CN | disclosed |
| CN-100522932-C | Preparation method of 2-bromomethyl-2-phenyl-4- (4-chlorphenyl) -butyronitrile | JIANGSU FENGDENG PESTICIDES CO (CN) | 2009-08-05 | — | — | CN | disclosed |
| CN-101125822-A | Preparation method of 2-bromomethyl-2-phenyl-4- (4-chlorphenyl) -butyronitrile | JIANGSU FENGDENG PESTICIDES CO (CN) | 2008-02-20 | — | — | CN | disclosed |
| CN-101125822-A | Preparation method of 2-bromomethyl-2-phenyl-4- (4-chlorphenyl) -butyronitrile | JIANGSU FENGDENG PESTICIDES CO (CN) | 2008-02-20 | — | — | CN | disclosed |
| US-5484787-A | Heterocyclicacetonitriles and fungicidal use | ROHM AND HAAS COMPANY (US) | 1996-01-16 | — | — | US | disclosed |
| US-5397793-A | Heterocyclicacetonitriles and fungicidal use | ROHM AND HAAS COMPANY (US) | 1995-03-14 | — | — | US | disclosed |
| EP-0451948-B1 | Heterocyclicacetonitriles and their fungicidal use | ROHM & HAAS (US) | 1994-12-28 | — | — | EP | disclosed |
| EP-0451948-A1 | Heterocyclicacetonitriles and their fungicidal use | ROHM AND HAAS COMPANY (US) | 1991-10-16 | — | — | EP | disclosed |
| EP-0214793-B1 | (2-CYANO-2-ARYLETHYL)PYRIDINES, THEIR PREPARATION AND USE AS FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1990-06-13 | — | — | EP | disclosed |
| US-4933339-A | PHYTOPATHOGENS | ROHM AND HAAS COMPANY (US) | 1990-06-12 | — | — | US | disclosed |
| EP-0214793-A1 | (2-Cyano-2-arylethyl)pyridines, their preparation and use as fungicides | ROHM AND HAAS COMPANY (US) | 1987-03-18 | — | — | EP | disclosed |