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 SCHEMBL3284185 | 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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116478417-B | Chiral covalent organic framework material based on boric acid ester, chiral separation membrane, preparation method and application thereof | 绍兴文理学院 | 2024-06-28 | — | — | CN | disclosed |
| CN-116478417-A | Chiral covalent organic framework material based on boric acid ester, chiral separation membrane, preparation method and application thereof | 绍兴文理学院 | 2023-07-25 | — | — | CN | disclosed |
| US-8173720-B2 | Transparent gel and contact lense from the same | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2012-05-08 | — | — | US | disclosed |
| EP-1840167-B1 | TRANSPARENT GEL AND CONTACT LENS COMPRISING THE SAME | MENICON CO LTD (JP) | 2010-10-06 | — | — | EP | disclosed |
| US-20090012205-A1 | TRANSPARENT GEL AND CONTACT LENSE FROM THE SAME | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2009-01-08 | — | — | US | disclosed |
| EP-1945830-A1 | CARRIER WITH POROUS VACUUM COATING | Weinert, Hilmar (DE) | 2008-07-23 | — | — | EP | disclosed |
| EP-1840167-A1 | TRANSPARENT GEL AND CONTACT LENS COMPRISING THE SAME | MENICON CO., LTD. (JP) | 2007-10-03 | — | — | EP | disclosed |
| WO-2007054229-A1 | CARRIER WITH POROUS VACUUM COATING | WEINERT HILMAR (DE) | 2007-05-18 | — | — | WO | disclosed |
| EP-1304924-A2 | COMPOSITIONS FOR REPELLING CRAWLING INSECTS | Bayer Aktiengesellschaft (DE) | 2003-05-02 | — | — | EP | disclosed |
| WO-2002005646-A2 | COMPOSITIONS FOR REPELLING CRAWLING INSECTS | S.C. JOHNSON & SON, INC. (US) (US) | 2002-01-24 | — | — | WO | disclosed |
| US-6093784-A | (CO)POLYCARBONATE CONTAINING DIARYLAMINOPHENYL-SUBSTITUTED BISPHENOL UNITS; DURABILITY, HEAT RESISTANCE, RADIATION TRANSPARENCY | RICOH COMPANY, LTD. (JP) | 2000-07-25 | — | — | US | disclosed |
| US-5981146-A | CONTAINING A COMPOUND HAVING A SULFONIC ACID GROUP OR A CARBONIC ACID GROUP IS FORMED ON A CHEMICAL-AMPLIFICATION-TYPE RESIST FILM OF A SEMICONDUCTTOR SUBSTRATE, FOLLOWED BY PERFORMING EXPOSURE | MITSUBISHI DENKI KABUSHIKI KAISHA (JP) | 1999-11-09 | — | — | US | disclosed |
| US-5191036-A | Polycarbonate, aromatic polyestersiloxane block polymer, impact strength | MITSUBISHI RAYON CO., LTD. (JP) | 1993-03-02 | — | — | US | disclosed |
| US-5084527-A | Polyestersiloxane copolymers for impact strength | MITSUBISHI RAYON CO., LTD. (JP) | 1992-01-28 | — | — | US | disclosed |
| EP-0384460-A1 | Thermoplastic resin composition | MITSUBISHI RAYON CO., LTD (JP) | 1990-08-29 | — | — | EP | disclosed |