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 SCHEMBL2676112 | 1.00 | CA1 (0.71) | CA1CA2CA9TSHRTP53 | |
| Benzene SCHEMBL1122633 | 1.00 | CA1 (0.71) | CA1CA2CA9TSHRTP53 | |
| Benzene SCHEMBL725167 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080287579-A1 | Resin composition and resin mold | FUJI XEROX CO., LTD. (JP) | 2008-11-20 | — | — | US | claimed |
| US-11511146-B2 | Protective material having catalytic and/or reactive properties and the production and use of same | BLüCHER GMBH | 2022-11-29 | — | — | US | disclosed |
| US-20200061403-A1 | PROTECTIVE MATERIAL HAVING CATALYTIC AND/OR REACTIVE PROPERTIES AND THE PRODUCTION AND USE OF SAME | BLüCHER GMBH (DE) | 2020-02-27 | — | — | US | disclosed |
| US-20080287579-A1 | Resin composition and resin mold | FUJI XEROX CO., LTD. (JP) | 2008-11-20 | — | — | US | disclosed |