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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 7/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 3/20 | 0.33 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28203493 | 0.94 | FFAR3 (0.44) | FFAR3LCKFYNLMNABLM | |
| Benzene SCHEMBL27293893 | 0.88 | FFAR3 (0.50) | FFAR3LCKFYNLMNABLM | |
| Benzene SCHEMBL28128963 | 0.85 | FFAR3 (0.47) | FFAR3LCKFYNLMNABLM | |
| Benzene SCHEMBL28174637 | 0.85 | FFAR3 (0.47) | FFAR3LCKFYNLMNABLM | |
| Benzene SCHEMBL27413926 | 0.85 | FFAR3 (0.47) | FFAR3LCKFYNLMNABLM | |
| Benzene SCHEMBL28073929 | 0.85 | FFAR3 (0.47) | FFAR3LCKFYNLMNABLM | |
| Benzene SCHEMBL28199150 | 0.85 | FFAR3 (0.47) | FFAR3LCKFYNLMNABLM | |
| Guanidine SCHEMBL5966163 | 0.82 | OR51E2 (0.41) | LMNABLMALOX15PMP22GABRR1 | |
| Acetic Acid SCHEMBL27960615 | 0.82 | LMNA (0.57) | FFAR3LCKFYNLMNABLM | |
| Acetic Acid SCHEMBL28164703 | 0.82 | FFAR3 (0.50) | FFAR3LCKFYNLMNABLM |
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 |
|---|---|---|---|---|---|---|---|
| CN-105145631-B | A kind of oil storage tank sulfate reduction bacteria inhibitor and its application method | 中国石油大学(华东) | 2018-07-06 | — | — | CN | claimed |
| CN-105145631-A | SRB (sulfate reducing bacteria) inhibitor for oil storage tank and use method of SRB inhibitor | UNIV CHINA PETROLEUM | 2015-12-16 | — | — | CN | claimed |
| CN-105145631-B | A kind of oil storage tank sulfate reduction bacteria inhibitor and its application method | 中国石油大学(华东) | 2018-07-06 | — | — | CN | disclosed |