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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.71 |
| ▸ | CA2 | P00918 | 3/20 | 0.71 |
| ▸ | CA9 | Q16790 | 3/20 | 0.71 |
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 SCHEMBL2416723 | 1.00 | CA1 (0.71) | CA1CA2CA9TSHRTP53 | |
| Benzene SCHEMBL6259045 | 1.00 | CA1 (0.71) | CA1CA2CA9TSHRTP53 | |
| Benzene SCHEMBL2676112 | 1.00 | CA1 (0.71) | CA1CA2CA9TSHRTP53 | |
| Benzene SCHEMBL1122633 | 1.00 | CA1 (0.71) | CA1CA2CA9TSHRTP53 | |
| Benzene SCHEMBL725167 | 1.00 | CA1 (0.71) | CA1CA2CA9TSHRTP53 | |
| Benzene SCHEMBL5081287 | 1.00 | CA1 (0.71) | CA1CA2CA9TSHRTP53 | |
| Benzene SCHEMBL10964916 | 1.00 | CA1 (0.71) | CA1CA2CA9TSHRTP53 | |
| Benzene SCHEMBL377044 | 1.00 | CA1 (0.71) | CA1CA2CA9TSHRTP53 | |
| Benzene SCHEMBL10961254 | 1.00 | CA1 (0.71) | CA1CA2CA9TSHRTP53 | |
| Benzene SCHEMBL11822273 | 0.94 | CA1 (0.62) | CA1CA2CA9TSHRTP53 |
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 420 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117843276-A | Multi-component composite steel slag grinding-aid excitant and preparation method thereof | 华新水泥股份有限公司 | 2024-04-09 | — | — | CN | claimed |
| CN-117695206-A | DNA hydrogel microneedle integrated application and preparation method and application | 北京科技大学 | 2024-03-15 | — | — | CN | claimed |
| WO-2023179324-A1 | ELECTROLYTIC SOLUTION CONTAINING FLUOROBENZENE CARBONATE, AND BATTERY COMPOSED OF ELECTROLYTIC SOLUTION | 香河昆仑新能源材料股份有限公司 | 2023-09-28 | — | — | WO | claimed |
| CN-113980198-A | Slow-release controllable polycarboxylic slump retaining agent and preparation method thereof | 科之杰新材料集团有限公司 | 2022-01-28 | — | — | CN | claimed |
| CN-113896845-A | Low-sensitivity slow-release polycarboxylic slump retaining agent and preparation method thereof | 科之杰新材料集团有限公司 | 2022-01-07 | — | — | CN | claimed |
| CN-111011030-B | A luminous root layer and root system that hinders for planting roofing | 湖北工业大学 | 2021-12-28 | — | — | CN | claimed |
| CN-111011030-A | A luminous root layer and root system that hinders for planting roofing | 湖北工业大学 | 2020-04-17 | — | — | CN | claimed |
| CN-106478539-B | A method of preparing chiral dihydro 1,4- benzoxazine compounds | 中国科学院大连化学物理研究所 | 2019-06-11 | — | — | CN | claimed |
| CN-109851504-A | A kind of synthetic method of chirality benzo ring-type 'beta '-ketoester class compound | 中国科学院大连化学物理研究所 | 2019-06-07 | — | — | CN | claimed |
| CN-109851607-A | A kind of synthetic method of nonacyclic compound | 中国科学院大连化学物理研究所 | 2019-06-07 | — | — | CN | claimed |
| CN-1408810-A | Bionic fluorescent powder conversion agent for mulching and its producing method | UNIV SHANDONG (CN) | 2003-04-09 | — | — | CN | claimed |
| CN-1409596-A | Combinations of fungicidally active compounds | BAYER AG (DE) | 2003-04-09 | — | — | CN | claimed |
| CN-1102648-C | Detergents containing surfactant and delayed release peroxyacid bleach source | PROCTER & GAMBLE (US) | 2003-03-05 | — | — | CN | claimed |
| CN-1100136-C | Detergent comprising builder and slow release enzyme | PROCTER & GAMBLE (US) | 2003-01-29 | — | — | CN | claimed |
| CN-1060500-C | Preparation of agricultural film rare-earth fluorescent powder changing agent | CHANGCHUN APPLIED CHEMISTRY (CN) | 2001-01-10 | — | — | CN | claimed |
| CN-1253583-A | Bleach compositions containing metal bleach catalyst, and bleach activators and/or organic percarboxylic acids | PROCTER & GAMBLE (US) | 2000-05-17 | — | — | CN | claimed |
| CN-1186835-A | Preparation of agricultural film rare-earth fluorescent powder changing agent | CHANGCHUN APPLIED CHEMISTRY (CN) | 1998-07-08 | — | — | CN | claimed |
| CN-1150817-A | Detergents containing builder and delayed release enzyme | PROCTER & GAMBLE (US) | 1997-05-28 | — | — | CN | claimed |
| CN-1150818-A | Detergent comprising surfactant and slow release peroxyacid bleach source | PROCTER & GAMBLE (US) | 1997-05-28 | — | — | CN | claimed |
| EP-0175118-B1 | PROCESS FOR THE ISOLATION OF AROMATIC POLYCARBONATES FROM THEIR SOLUTIONS | BAYER AG (DE) | 1988-09-21 | — | — | EP | claimed |