Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Benzonitrile. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.88 |
| ▸ | MAOB | P27338 | 4/20 | 0.54 |
| ▸ | MAOA | P21397 | 3/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL138360 | 1.00 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL5605359 | 1.00 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL10689627 | 0.94 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL3473848 | 0.94 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL27748096 | 0.94 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL9438699 | 0.94 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL5376660 | 0.94 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL10952597 | 0.94 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL8713536 | 0.94 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL242251 | 0.94 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1771404-B1 | IMPROVED METHOD FOR THE PRODUCTION OF (E,Z)-7,8-CYCLOHEXADECENE-1-ON | SYMRISE GMBH & CO KG (DE) | 2010-03-03 | — | — | EP | claimed |
| EP-1771404-B1 | IMPROVED METHOD FOR THE PRODUCTION OF (E,Z)-7,8-CYCLOHEXADECENE-1-ON | SYMRISE GMBH & CO KG (DE) | 2010-03-03 | — | — | EP | disclosed |