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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
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 SCHEMBL7953615 | 0.94 | NPSR1 (0.48) | NPSR1KMT2APOLBAPEX1ATM | |
| Acetic Acid SCHEMBL7948951 | 0.88 | NPSR1 (0.54) | NPSR1KMT2APOLBAPEX1ATM | |
| Fluorobenzene SCHEMBL7949846 | 0.85 | NPSR1 (0.47) | NPSR1KMT2APOLBAPEX1ATM | |
| Anisole SCHEMBL7949064 | 0.84 | NPSR1 (0.47) | NPSR1KMT2APOLBAPEX1ATM | |
| Fluorobenzene SCHEMBL7953534 | 0.79 | NPSR1 (0.52) | NPSR1KMT2APOLBAPEX1ATM | |
| Acetic Acid SCHEMBL7949884 | 0.78 | NPSR1 (0.70) | NPSR1KMT2APOLBAPEX1ATM | |
| SCHEMBL7949807 | 0.74 | NPSR1 (0.69) | NPSR1KMT2APOLBAPEX1ATM | |
| SCHEMBL7948105 | 0.72 | NPSR1 (0.53) | NPSR1KMT2APOLBAPEX1ATM | |
| SCHEMBL7948949 | 0.71 | NPSR1 (0.71) | NPSR1KMT2APOLBAPEX1ATM | |
| Nitrobenzene SCHEMBL7949085 | 0.71 | MAPT (0.49) | KMT2APOLBMAPTHTTALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6255517-B1 | 6-SULFONYLOXYISOPROPENYL-M-CRESOL AND ESTERS | Zee, Ok Pyo (KR) | 2001-07-03 | — | — | US | disclosed |