Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 SCHEMBL27943938 | 0.88 | TSHR (0.38) | TSHRTP53NAPRTTDP1 | |
| Benzene SCHEMBL8752860 | 0.87 | TSHR (0.50) | TSHRTP53NAPRTTDP1 | |
| Benzene SCHEMBL157750 | 0.87 | — | — | |
| Benzene SCHEMBL9127759 | 0.82 | TSHR (0.33) | TSHRTP53 | |
| Benzene SCHEMBL28792012 | 0.80 | — | — | |
| Benzene SCHEMBL11181765 | 0.80 | TSHR (0.43) | TSHRTP53NAPRTTDP1 | |
| Benzene SCHEMBL27782821 | 0.80 | TSHR (0.43) | TSHRTP53NAPRTTDP1 | |
| Benzene SCHEMBL8089103 | 0.80 | TSHR (0.43) | TSHRTP53NAPRTTDP1 | |
| Benzene SCHEMBL7868296 | 0.80 | — | — | |
| Benzene SCHEMBL11243970 | 0.80 | — | — |
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-110204700-A | A method of efficiently preparation polypropylene terephthalate (PTT) | 华东理工大学 | 2019-09-06 | — | — | CN | disclosed |