Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
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 SCHEMBL8432661 | 0.94 | ALDH1A1 (0.42) | ALDH1A1TSHRFFAR3LCKFYN | |
| Ether SCHEMBL115545 | 0.94 | — | — | |
| Ether SCHEMBL7115101 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TSHRFFAR3LCKFYN | |
| Ether SCHEMBL28328411 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TSHRFFAR3LCKFYN | |
| Ether SCHEMBL28393262 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TSHRFFAR3LCKFYN | |
| Ether SCHEMBL20338904 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TSHRFFAR3LCKFYN | |
| Ether SCHEMBL5597101 | 0.90 | ALDH1A1 (0.48) | ALDH1A1TSHRFFAR3LCKFYN | |
| Ether SCHEMBL9317524 | 0.90 | ALDH1A1 (0.48) | ALDH1A1TSHRFFAR3LCKFYN | |
| Ether SCHEMBL11311472 | 0.90 | ALDH1A1 (0.48) | ALDH1A1TSHRFFAR3LCKFYN | |
| Ether SCHEMBL7763625 | 0.90 | ALDH1A1 (0.48) | ALDH1A1TSHRFFAR3LCKFYN |
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 |
|---|---|---|---|---|---|---|---|
| CN-109659096-A | A method of preparing graphene conductive film | 中国科学院山西煤炭化学研究所 | 2019-04-19 | — | — | CN | claimed |
| US-4172149-A | COATING WITH TRIGLYCERIDES | WESTWOOD PHARMACEUTICALS, INC. (US) | 1979-10-23 | — | — | US | disclosed |