Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.75 |
| ▸ | TP53 | P04637 | 1/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 SCHEMBL27481209 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL10754293 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL27467285 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL14717514 | 1.00 | — | — | |
| Benzene SCHEMBL3066045 | 1.00 | — | — | |
| Benzene SCHEMBL4344056 | 1.00 | — | — | |
| Benzene SCHEMBL7398811 | 0.89 | — | — | |
| Benzene SCHEMBL9585165 | 0.89 | — | — | |
| Benzene SCHEMBL14954166 | 0.89 | — | — | |
| Benzene SCHEMBL29207559 | 0.89 | TP53 (0.60) | TSHRTP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103922956-A | Continuous Crystallisation Process Of Iodinated Phenyl Derivatives | GE HEALTHCARE AS | 2014-07-16 | — | — | CN | claimed |
| CN-101233092-A | Continuous crystallization method of iodinated phenyl derivatives | GE HEALTHCARE AS (NO) | 2008-07-30 | — | — | CN | claimed |
| CN-101171030-A | Use of plasmin for preventing of reducing the rate of the progression of non-proliferative diabetic retinopathy and the treatment of other ocular conditions | BAUSCH & LOMB (US) | 2008-04-30 | — | — | CN | claimed |
| CN-101679152-B | Method of preparing iodinated aromatic compounds | SK CHEMICALS CO LTD | 2014-08-06 | — | — | CN | disclosed |
| EP-2564875-A1 | LIQUID PREPARATION FOR ORAL ADMINISTRATION WHICH CAN BE USED IN CT COLONOGRAPHY, AND COMPOSITION FOR IMAGING OF DIGESTIVE TRACT | Ajinomoto Co., Inc. (JP) | 2013-03-06 | — | — | EP | disclosed |
| US-20130052143-A1 | LIQUID PREPARATION FOR ORAL ADMINISTRATION TO BE USED IN CT COLONOGRAPHY, AND COMPOSITION FOR DIGESTIVE TRACT IMAGING | AJINOMOTO CO., INC. (JP) | 2013-02-28 | — | — | US | disclosed |
| CN-101679152-A | Method of preparing iodinated aromatic compounds | SK CHEMICALS CO LTD | 2010-03-24 | — | — | CN | disclosed |
| CN-1946356-A | Systems and methods for forming identifiable structures in a solid freeform fabrication system | HEWLETT PACKARD DEVELOPMENT CO (US) | 2007-04-11 | — | — | CN | disclosed |