Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 SCHEMBL2939929 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL1033046 | 1.00 | — | — | |
| Benzene SCHEMBL28428218 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL9860731 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL5898844 | 1.00 | — | — | |
| Benzene SCHEMBL9860060 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL8215016 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL5320320 | 1.00 | — | — | |
| Benzene SCHEMBL2939930 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL5320317 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5025051-A | Perchloric acid; piperidyl compound, fire retardant; light and heat resistant | FERRO CORPORATION (US) | 1991-06-18 | — | — | US | disclosed |
| EP-0344321-A1 | SYNTHETIC RESIN COMPOSITION | FERRO CORPORATION (US) | 1989-12-06 | — | — | EP | disclosed |