Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 SCHEMBL28774898 | 0.80 | — | — | |
| Benzene SCHEMBL11765474 | 0.80 | TSHR (0.60) | TSHRTP53NAPRTTDP1 | |
| Benzene SCHEMBL3999894 | 0.80 | — | — | |
| Benzene SCHEMBL23388154 | 0.80 | TSHR (0.60) | TSHRTP53NAPRTTDP1 | |
| Benzene SCHEMBL21247178 | 0.80 | — | — | |
| Benzene SCHEMBL8845787 | 0.80 | TSHR (0.60) | TSHRTP53NAPRTTDP1 | |
| Benzene SCHEMBL1572970 | 0.80 | — | — | |
| Benzene SCHEMBL11683754 | 0.80 | TSHR (0.60) | TSHRTP53NAPRTTDP1 | |
| Benzene SCHEMBL9473942 | 0.80 | TSHR (0.60) | TSHRTP53NAPRTTDP1 | |
| Benzene SCHEMBL27910994 | 0.80 | TSHR (0.60) | TSHRTP53NAPRTTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230044129-A1 | Polyoxometalates Comprising Noble Metals and Metal Cluster Units Thereof | EXXONMOBIL CHEMICAL PATENTS INC. | 2023-02-09 | — | — | US | disclosed |
| EP-4061776-A1 | POLYOXOMETALATES COMPRISING NOBLE METALS AND METAL CLUSTER UNITS THEREOF | ExxonMobil Chemical Patents Inc. (US) | 2022-09-28 | — | — | EP | disclosed |
| WO-2021099142-A1 | POLYOXOMETALATES COMPRISING NOBLE METALS AND METAL CLUSTER UNITS THEREOF | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2021-05-27 | — | — | WO | disclosed |