Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nitrobenzene. 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 | 3/20 | 0.73 |
| ▸ | LMNA | P02545 | 2/20 | 0.73 |
| ▸ | CES1 | P23141 | 3/20 | 0.59 |
| ▸ | CES2 | O00748 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | MITF | O75030 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL11331939 | 0.93 | ALDH1A1 (0.76) | ALDH1A1LMNACES1CES2CA1 | |
| Nitrobenzene SCHEMBL6689837 | 0.93 | ALDH1A1 (0.76) | ALDH1A1LMNACES1CES2CA1 | |
| Nitrobenzene SCHEMBL9509478 | 0.89 | ALDH1A1 (0.70) | ALDH1A1LMNACES1CES2MAPK1 | |
| Nitrobenzene SCHEMBL28385245 | 0.89 | ALDH1A1 (0.70) | ALDH1A1LMNACES1CES2CA1 | |
| Nitrobenzene SCHEMBL27355882 | 0.89 | ALDH1A1 (0.70) | ALDH1A1LMNACES1CES2CA1 | |
| Nitrobenzene SCHEMBL28257833 | 0.89 | ALDH1A1 (0.70) | ALDH1A1LMNACES1CES2CA1 | |
| Nitrobenzene SCHEMBL27855855 | 0.88 | ALDH1A1 (0.76) | ALDH1A1LMNACES1CES2CA1 | |
| Nitrobenzene SCHEMBL3489404 | 0.88 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2CA1 | |
| Nitrobenzene SCHEMBL6858789 | 0.88 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2CA1 | |
| Nitrobenzene SCHEMBL2029354 | 0.88 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2CA1 |
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-108160336-B | Tellurium-bismuth ore flotation inhibitor and preparation method and application thereof | 中国地质科学院矿产综合利用研究所 | 2020-11-03 | — | — | CN | claimed |
| CN-108160336-B | Tellurium-bismuth ore flotation inhibitor and preparation method and application thereof | 中国地质科学院矿产综合利用研究所 | 2020-11-03 | — | — | CN | disclosed |