Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | DAO | P14920 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CES2 | O00748 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL7906078 | 1.00 | CA1 (0.42) | CA1CA2CA9F2LMNA | |
| Benzene SCHEMBL2416720 | 0.96 | CA1 (0.33) | CA1CA2CA9F2LMNA | |
| Benzene SCHEMBL6009346 | 0.92 | F2 (0.32) | CA1CA2CA9F2LMNA | |
| Bicarbonate SCHEMBL2217045 | 0.91 | CA1 (0.50) | CA1CA2CA9ALDH1A1TSHR | |
| Bicarbonate SCHEMBL28097261 | 0.87 | CA1 (0.46) | CA1CA2CA9ALDH1A1TSHR | |
| Bicarbonate SCHEMBL27686758 | 0.87 | CA1 (0.46) | CA1CA2CA9ALDH1A1TSHR | |
| SCHEMBL31313730 | 0.87 | CA1 (0.40) | CA1CA2CA9ALDH1A1TSHR | |
| SCHEMBL7793 | 0.87 | — | — | |
| Bicarbonate SCHEMBL28185274 | 0.83 | CA1 (0.42) | CA1CA2CA9 | |
| Fluoride SCHEMBL23213374 | 0.82 | CA1 (0.36) | CA1CA2CA9ALDH1A1TSHR |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1771141-B1 | DENTAL ADHESIVE COMPOSITION | DENTSPLY DETREY GMBH (DE) | 2009-03-25 | — | — | EP | claimed |
| EP-1531332-B1 | Analysis and typing of monoclonal proteins by capillary electrophoresis and immunoshift | SEBIA SA (FR) | 2008-12-24 | — | — | EP | claimed |
| EP-1694746-B1 | POLYMERIC DISPERSANTS AND DISPERSIONS CONTAINING SAME | SUN CHEMICAL CORP (US) | 2008-10-29 | — | — | EP | claimed |
| EP-1123348-B1 | IMPACT-RESISTANT EPOXIDE RESIN COMPOSITIONS | HENKEL TEROSON GMBH (DE) | 2005-12-28 | — | — | EP | claimed |
| EP-1036827-B1 | Process for the preparation of paints to be exposed to bad weather | FRAUNHOFER GES FORSCHUNG (DE) | 2005-06-29 | — | — | EP | claimed |
| EP-3131987-B1 | COMPOSITION BASED ON LAYERED HYDROXIDES AND POLYESTERS, METHOD FOR PREPARING THE COMPOSITION AND ITS USE | BASF COATINGS GMBH (DE) | 2018-05-16 | — | — | EP | disclosed |
| EP-3131987-A1 | COMPOSITION BASED ON LAYERED HYDROXIDES AND POLYESTERS, METHOD FOR PRODUCING THE COMPOSITION AND USE THEREOF | BASF Coatings GmbH (DE) | 2017-02-22 | — | — | EP | disclosed |
| WO-2015158466-A1 | COMPOSITION BASED ON LAYERED HYDROXIDES AND POLYESTERS, METHOD FOR PRODUCING THE COMPOSITION AND USE THEREOF | BASF COATINGS GMBH (DE) | 2015-10-22 | — | — | WO | disclosed |
| EP-2933300-A1 | Composition based on layered hydroxides and polyesters, method for preparing the composition and its use | BASF Coatings GmbH (DE) | 2015-10-21 | — | — | EP | disclosed |
| EP-1123348-B1 | IMPACT-RESISTANT EPOXIDE RESIN COMPOSITIONS | HENKEL TEROSON GMBH (DE) | 2005-12-28 | — | — | EP | disclosed |
| EP-1036827-B1 | Process for the preparation of paints to be exposed to bad weather | FRAUNHOFER GES FORSCHUNG (DE) | 2005-06-29 | — | — | EP | disclosed |
| EP-1123348-A2 | IMPACT-RESISTANT EPOXIDE RESIN COMPOSITIONS | Henkel Teroson GmbH (DE) | 2001-08-16 | — | — | EP | disclosed |
| EP-1036827-A2 | Process for the preparation of paints to be exposed to bad weather | Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) | 2000-09-20 | — | — | EP | disclosed |
| WO-2000020483-A2 | IMPACT-RESISTANT EPOXIDE RESIN COMPOSITIONS | HENKEL TEROSON GMBH (DE) | 2000-04-13 | — | — | WO | disclosed |
| EP-0471252-B1 | N-alkyl-N-(meth)acryloyloxyalkylcarboxamides of aromatic carboxylic acids and of aromatic carboxylic anhydrides and adhesives containing these compounds | BAYER AG (DE) | 1994-03-30 | — | — | EP | disclosed |
| EP-0530660-A2 | Water-soluble phthalocyanine dyes, process for their preparation and the use thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-03-10 | — | — | EP | disclosed |
| EP-0527441-A2 | Water-soluble phthalocyanine dyes, process for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-02-17 | — | — | EP | disclosed |
| EP-0471252-A1 | N-alkyl-N-(meth)acryloyloxyalkylcarboxamides of aromatic carboxylic acids and of aromatic carboxylic anhydrides and adhesives containing these compounds | BAYER AG (DE) | 1992-02-19 | — | — | EP | disclosed |