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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.63 |
| ▸ | HPGD | P15428 | 6/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | ESR1 | P03372 | 1/20 | 0.62 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.62 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.62 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | GGT1 | P19440 | 1/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.62 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.62 |
| ▸ | BLM | P54132 | 1/20 | 0.62 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.59 |
| ▸ | CTSD | P07339 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL21517635 | 1.00 | HTT (0.75) | HTTKDM4EHPGDHSD17B10ALDH1A1 | |
| Bicarbonate SCHEMBL238308 | 1.00 | HTT (0.75) | HTTKDM4EHPGDHSD17B10ALDH1A1 | |
| Bicarbonate SCHEMBL29943714 | 1.00 | HTT (0.75) | HTTKDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL3527 | 0.98 | HTT (0.78) | HTTKDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL29365231 | 0.98 | HTT (0.78) | HTTKDM4EHPGDHSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4236548 | 0.96 | HTT (0.75) | HTTKDM4EHPGDHSD17B10ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL22437491 | 0.96 | HTT (0.75) | HTTKDM4EHPGDHSD17B10ALDH1A1 | |
| Fluoride SCHEMBL3190250 | 0.96 | HTT (0.75) | HTTKDM4EHPGDHSD17B10ALDH1A1 | |
| Phthalic Acid SCHEMBL8680432 | 0.96 | HTT (0.75) | HTTKDM4EHPGDHSD17B10ALDH1A1 | |
| SCHEMBL10404879 | 0.96 | HTT (0.75) | HTTKDM4EHPGDHSD17B10ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105637012-A | Polysiloxane-polycarbonate block cocondensates | COVESTRO DEUTSCHLAND AG | 2016-06-01 | — | — | CN | disclosed |