Known targets — ChEMBL curated mechanism
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
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 2/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.67 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | NT5E | P21589 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | BLM | P54132 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
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 SCHEMBL9118283 | 1.00 | CA5A (0.67) | CA5ACA5BTSHRSMN1; SMN2CA2 | |
| Benzene SCHEMBL29238660 | 1.00 | CA5A (0.67) | CA5ACA5BTSHRSMN1; SMN2CA2 | |
| Benzene SCHEMBL28815094 | 1.00 | CA5A (0.67) | CA5ACA5BTSHRSMN1; SMN2CA2 | |
| Benzene SCHEMBL10354042 | 1.00 | CA5A (0.67) | CA5ACA5BTSHRSMN1; SMN2CA2 | |
| Benzene SCHEMBL249062 | 1.00 | CA5A (0.67) | CA5ACA5BTSHRSMN1; SMN2CA2 | |
| Benzene SCHEMBL10575327 | 0.95 | CA5A (0.60) | CA5ACA5BTSHRSMN1; SMN2CA2 | |
| Benzene SCHEMBL9821129 | 0.95 | CA5A (0.60) | CA5ACA5BTSHRSMN1; SMN2CA2 | |
| Benzene SCHEMBL6363798 | 0.95 | CA5A (0.60) | CA5ACA5BTSHRSMN1; SMN2CA2 | |
| Benzene SCHEMBL11215425 | 0.95 | CA5A (0.60) | CA5ACA5BTSHRSMN1; SMN2CA2 | |
| Benzene SCHEMBL29071467 | 0.95 | CA5A (0.60) | CA5ACA5BTSHRSMN1; SMN2CA2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3420042-A1 | THERMOSETTING COATING COMPOSITIONS | Eastman Chemical Company (US) | 2019-01-02 | — | — | EP | disclosed |
| WO-2017147025-A1 | THERMOSETTING COATING COMPOSITIONS | EASTMAN CHEMICAL COMPANY (US) | 2017-08-31 | — | — | WO | disclosed |
| US-20100155303-A1 | METHOD FOR DESULFURIZATION OF HYDROCARBON OIL | JAPAN ENERGY CORPORATION (JP) | 2010-06-24 | — | — | US | disclosed |
| EP-1923451-A1 | METHOD FOR DESULFURIZATION OF HYDROCARBON OIL | JAPAN ENERGY CORPORATION (JP) | 2008-05-21 | — | — | EP | disclosed |
| CN-1196080-A | Composition and method for developing extensional viscosity in cleaning compositions | CLOROX CO (US) | 1998-10-14 | — | — | CN | disclosed |
| EP-0711747-B1 | Esterification process | UNION CARBIDE CHEM PLASTIC (US) | 1998-07-29 | — | — | EP | disclosed |
| US-5618973-A | PRODUCING GLYCOL ETHER ESTER BY REACTING GLYCOL ETHER ALCOHOL WITH LOWER CARBOXYLIC ACID IN PRESENCE OF LONG CHAIN ALKYL SUBSTITUTED ARYLSULFONIC ACID | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-04-08 | — | — | US | disclosed |
| EP-0711747-A1 | Esterification process | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1996-05-15 | — | — | EP | disclosed |