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 SCHEMBL3380499 | 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 996 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118632695-A | Nilapatinib and abiraterone acetate Long Jiapo are useful for improving clinical outcome in patients with metastatic castration-resistant prostate cancer and HRR alterations | 詹森药业有限公司 | 2024-09-10 | — | — | CN | claimed |
| EP-4373491-A1 | TREATMENT OF METASTATIC CASTRATION-RESISTANT PROSTATE CANCER WITH NIRAPARIB | JANSSEN Pharmaceutica NV (BE) | 2024-05-29 | — | — | EP | claimed |
| CN-117715643-A | Treatment of metastatic castration-resistant prostate cancer with nilaparib | 詹森药业有限公司 | 2024-03-15 | — | — | CN | claimed |
| CN-115124978-B | Gas drainage borehole gel hole sealing material and preparation method thereof | 湖南科技大学 | 2023-09-01 | — | — | CN | claimed |
| WO-2023148345-A1 | NIRAPARIB AND ABIRATERONE ACETATE PLUS PREDNISONE TO IMPROVE CLINICAL OUTCOMES IN PATIENTS WITH METASTATIC CASTRATION-RESISTANT PROSTATE CANCER AND HRR ALTERATIONS | JANSSEN PHARMACEUTICA NV (BE) | 2023-08-10 | — | — | WO | claimed |
| EP-4146211-A1 | PHARMACEUTICAL FORMULATIONS OF ABIRATERONE ACETATE AND NIRAPARIB | JANSSEN Pharmaceutica NV (BE) | 2023-03-15 | — | — | EP | claimed |
| WO-2023001746-A1 | TREATMENT OF METASTATIC CASTRATION-RESISTANT PROSTATE CANCER WITH NIRAPARIB | JANSSEN PHARMACEUTICA NV (BE) | 2023-01-26 | — | — | WO | claimed |
| US-11208559-B2 | Modified indigo compounds and methods of dyeing a substrate using a modified indigo compound | THE H.D. LEE COMPANY, INC. (US) | 2021-12-28 | — | — | US | claimed |
| WO-2021224471-A1 | PHARMACEUTICAL FORMULATIONS OF ABIRATERONE ACETATE AND NIRAPARIB | JANSSEN PHARMACEUTICA NV (BE) | 2021-11-11 | — | — | WO | claimed |
| EP-3200754-B1 | COSMETIC PROCESS FOR ATTENUATING WRINKLES | OREAL (FR) | 2020-06-10 | — | — | EP | claimed |
| EP-0731687-B1 | HAIR CLEANING AND/OR CARE AGENT AND PROCESS FOR PRODUCING IT | PETRITSCH ERICH (AT) | 2001-03-07 | — | — | EP | claimed |
| EP-0322858-B1 | A method for measuring the amount of polyamines in a biological sample | TOYO BOSEKI (JP) | 1994-08-31 | — | — | EP | claimed |
| EP-0393713-B1 | Process for the preparation of N-substituted maleimides | TOSOH CORP (JP) | 1994-06-29 | — | — | EP | claimed |
| US-RE34606-E | Modified enzymes and methods for making same | GENENCOR, INC. (US) | 1994-05-10 | — | — | US | claimed |
| US-5091350-A | Extracting with aqueous solution of organic phosphine sulfonate or carboxylate and solubilizer | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-02-25 | — | — | US | claimed |
| US-5087705-A | Heating N-substituted maleamic acid monoester in presence of acid catalyst | SHIN-DAIKYOWA PETROCHEMICAL CO., LTD. (JP) | 1992-02-11 | — | — | US | claimed |
| EP-0393713-A1 | Process for the preparation of N-substituted maleimides | Tosoh Corporation (JP) | 1990-10-24 | — | — | EP | claimed |
| US-4731485-A | Process for hydroformylation with rhodium catalysts and the separation of rhodium therefrom | RUHRCHEMIE AKTIENGESELLSCHAFT (DE) | 1988-03-15 | — | — | US | claimed |
| EP-0102271-B1 | PROCESS FOR THE STABILISATION OF REACTIVE IMINES, STABLE IMINIUM SALTS OBTAINED BY THIS PROCESS AND THEIR USE | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 1986-01-08 | — | — | EP | claimed |
| US-4311512-A | Bactericidal water-soluble complexes | POLYCRAFT LABORATORIES, INC., A CORP. OF NJ. | 1982-01-19 | — | — | US | claimed |