Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 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 SCHEMBL5605359 | 0.94 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL3159982 | 0.94 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL3474680 | 0.94 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL138360 | 0.94 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL27363057 | 0.94 | TSHR (1.00) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL9464940 | 0.94 | TSHR (1.00) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL11044747 | 0.94 | — | — | |
| Benzonitrile SCHEMBL30929383 | 0.94 | TSHR (1.00) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL27793280 | 0.94 | TSHR (1.00) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL21752925 | 0.94 | — | — |
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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114008125-B | Polymer composition, crosslinked polymer and tire | 株式会社引能仕材料 | 2024-04-09 | — | — | CN | claimed |
| CN-114761482-A | Method for producing polymer composition | 株式会社引能仕材料 | 2022-07-15 | — | — | CN | claimed |
| CN-114207009-A | Polymer composition, crosslinked polymer, and tire | JSR株式会社 | 2022-03-18 | — | — | CN | claimed |
| CN-114144461-A | Polymer composition, crosslinked body, and tire | JSR株式会社 | 2022-03-04 | — | — | CN | claimed |
| CN-114008125-A | Polymer composition, crosslinked polymer, and tire | JSR株式会社 | 2022-02-01 | — | — | CN | claimed |
| WO-2021256419-A1 | POLYMER COMPOSITION, CROSSLINKED POLYMER, AND TIRE | JSR株式会社 | 2021-12-23 | — | — | WO | claimed |
| CN-113396070-A | Polymer composition, crosslinked polymer, and tire | JSR株式会社 | 2021-09-14 | — | — | CN | claimed |
| CN-113195250-A | Rubber composition, crosslinked body, and tire | JSR株式会社 | 2021-07-30 | — | — | CN | claimed |
| WO-2021112167-A1 | POLYMER COMPOSITION MANUFACTURING METHOD | JSR株式会社 | 2021-06-10 | — | — | WO | claimed |
| WO-2021049377-A1 | POLYMER COMPOSITION, CROSSLINKED POLYMER AND TIRE | JSR株式会社 | 2021-03-18 | — | — | WO | claimed |
| WO-2021039985-A1 | POLYMER COMPOSITION, CROSS-LINKED PRODUCT AND TIRE | JSR株式会社 | 2021-03-04 | — | — | WO | claimed |
| WO-2021020189-A1 | POLYMER COMPOSITION, CROSSLINKED POLYMER AND TIRE | JSR株式会社 | 2021-02-04 | — | — | WO | claimed |
| WO-2020255823-A1 | POLYMER COMPOSITION, CROSSLINKED POLYMER, AND TIRE | JSR株式会社 | 2020-12-24 | — | — | WO | claimed |
| WO-2020196220-A1 | POLYMER COMPOSITION, CROSSLINKED POLYMER, AND TIRE | JSR株式会社 | 2020-10-01 | — | — | WO | claimed |
| EP-1745058-A1 | CYCLOOLEFIN PHOSPHINE LIGANDS AND THEIR USE IN CATALYSIS | Degussa GmbH (DE) | 2007-01-24 | — | — | EP | claimed |
| WO-2005108407-A1 | CYCLOOLEFIN PHOSPHINE LIGANDS AND THEIR USE IN CATALYSIS | DEGUSSA AG (DE) | 2005-11-17 | — | — | WO | claimed |
| CN-114008125-B | Polymer composition, crosslinked polymer and tire | 株式会社引能仕材料 | 2024-04-09 | — | — | CN | disclosed |
| US-20220389310-A1 | LUMINESCENT MATERIALS AND METHODS THEREOF | UNIVERSITY OF WASHINGTON (US) | 2022-12-08 | — | — | US | disclosed |
| US-4096168-A | PHENOL, CARBON MONOXIDE, GROUP 8B CATALYST, POLYCARBONATES FROM POLYPHENOLS | GENERAL ELECTRIC COMPANY (US) | 1978-06-20 | — | — | US | disclosed |
| US-4096169-A | PHENOL, CARBON MONOXIDE, GROUP 8B CATALYST, POLYCARBONATES FROM POLYPHENOL | GENERAL ELECTRIC COMPANY (US) | 1978-06-20 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20220389310-A1 | LUMINESCENT MATERIALS AND METHODS THEREOF | TYR, GSTA2, CYBA | TSHR 4145/4885MAOB 247/4885MAOA 158/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.