Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.39 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | HSPE1 | P61604 | 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 | |
|---|---|---|---|---|
| SCHEMBL30453664 | 1.00 | CYP2A6 (0.51) | CYP2A6TP53CYP3A4IDO1MEN1 | |
| SCHEMBL11339655 | 0.84 | CYP2A6 (0.53) | CYP2A6CYP3A4IDO1MEN1KMT2A | |
| SCHEMBL549082 | 0.83 | CYP1A2 (0.57) | CYP2A6TP53CYP3A4IDO1MAPT | |
| SCHEMBL29457615 | 0.83 | CYP1A2 (0.57) | CYP2A6TP53CYP3A4IDO1MAPT | |
| SCHEMBL836823 | 0.81 | CYP2A6 (0.50) | CYP2A6CYP3A4IDO1MEN1KMT2A | |
| SCHEMBL30192730 | 0.79 | KCNH2 (0.39) | CYP2A6CYP3A4MEN1KMT2ALMNA | |
| SCHEMBL155058 | 0.79 | CSNK2A1 (0.49) | CYP2A6LMNAHPGDSMN1; SMN2ALDH1A1 | |
| SCHEMBL5642630 | 0.79 | KCNH2 (0.39) | CYP2A6CYP3A4MEN1KMT2ALMNA | |
| SCHEMBL4015590 | 0.79 | GABRA1 (0.39) | CYP2A6MEN1KMT2ALMNAHPGD | |
| SCHEMBL5040154 | 0.79 | CYP3A4 (0.46) | CYP2A6CYP3A4MEN1KMT2ALMNA |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108709944-B | Method for simultaneously detecting 6 chlorobenzene acetonitrile serving as nitrogenous aromatic disinfection by-product in drinking water | 同济大学 | 2021-02-12 | — | — | CN | claimed |
| CN-109613155-A | A kind of detection method of armaticity nitrogenous disinfection byproducts | 同济大学 | 2019-04-12 | — | — | CN | claimed |
| US-4284584-A | REACTING AN ANHYDRIDE WITH AN ALKALI METAL CYANIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1981-08-18 | — | — | US | claimed |
| CN-111253404-B | Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof | 上海医药集团股份有限公司 | 2023-05-23 | — | — | CN | disclosed |
| US-20220048915-A1 | Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof | SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) | 2022-02-17 | — | — | US | disclosed |
| EP-3889156-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2021-10-06 | — | — | EP | disclosed |
| CN-108709944-B | Method for simultaneously detecting 6 chlorobenzene acetonitrile serving as nitrogenous aromatic disinfection by-product in drinking water | 同济大学 | 2021-02-12 | — | — | CN | disclosed |
| US-20210040049-A1 | ANTI-HCMV COMPOSITIONS AND METHODS | EVRYS BIO, LLC (US) | 2021-02-11 | — | — | US | disclosed |
| CN-111253404-A | Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof | 上海医药集团股份有限公司 | 2020-06-09 | — | — | CN | disclosed |
| CN-109613155-A | A kind of detection method of armaticity nitrogenous disinfection byproducts | 同济大学 | 2019-04-12 | — | — | CN | disclosed |
| US-20180170884-A1 | ANTI-HCMV COMPOSITIONS AND METHODS | FORGE LIFE SCIENCE, LLC | 2018-06-21 | — | — | US | disclosed |
| US-20130012485-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2013-01-10 | — | — | US | disclosed |
| CN-101228156-B | Fungicidal carboxamides | DU PONT | 2012-07-18 | — | — | CN | disclosed |
| US-20110269712-A1 | Fungicidal Carboxamides | BISAHA JOHN JOSEPH | 2011-11-03 | — | — | US | disclosed |
| EP-2124913-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | Novartis AG (CH) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008091594-A2 | FUNGICIDAL MIXTURES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-31 | — | — | WO | disclosed |
| EP-1948649-A2 | FUNGICIDAL CARBOXAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-07-30 | — | — | EP | disclosed |
| CN-101228156-A | Fungicidal carboxamides | DU PONT (US) | 2008-07-23 | — | — | CN | disclosed |
| WO-2008077597-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | NOVARTIS AG (CH) | 2008-07-03 | — | — | WO | disclosed |
| WO-2007014290-A2 | FUNGICIDAL CARBOXAMIDES | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-02-01 | — | — | WO | 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 (5 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-20110269712-A1 | Fungicidal Carboxamides | NAT1, PFAS, CHRM1 | CYP2A6 705/4885TP53 3715/4885CYP3A4 167/4885 |
| US-20130012485-A1 | ORGANIC COMPOUNDS | DPP4, DPP3, DPP7 | CYP2A6 123/4885TP53 2421/4885CYP3A4 13/4885 |
| US-20210040049-A1 | ANTI-HCMV COMPOSITIONS AND METHODS | RPL35, RPL7, RPL5 | CYP2A6 4296/4885TP53 511/4885CYP3A4 4572/4885 |
| US-20180170884-A1 | ANTI-HCMV COMPOSITIONS AND METHODS | RPL35, RPL7, RPL5 | CYP2A6 4296/4885TP53 511/4885CYP3A4 4572/4885 |
| US-20220048915-A1 | Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof | MAPK11, WEE1, NOS1 | CYP2A6 2016/4885TP53 2750/4885CYP3A4 807/4885 |
“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.