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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 SCHEMBL7941791 | 0.95 | ITGA4 (0.35) | MEN1KMT2AHTTALDH1A1NPSR1 | |
| Fluorobenzene SCHEMBL7951732 | 0.85 | KMT2A (0.37) | MEN1KMT2AHTTALDH1A1NPSR1 | |
| Fluorobenzene SCHEMBL7948168 | 0.80 | SRC (0.36) | MEN1KMT2AHTTALDH1A1NPSR1 | |
| Acetic Acid SCHEMBL7951718 | 0.76 | TACR1 (0.39) | MEN1KMT2AHTTALDH1A1NPSR1 | |
| Nitrobenzene SCHEMBL7949085 | 0.70 | MAPT (0.49) | MEN1KMT2AHTTALDH1A1GLO1 | |
| Nitrobenzene SCHEMBL9326043 | 0.69 | ALDH1A1 (0.55) | MEN1KMT2AALDH1A1NPSR1GLO1 | |
| Nitrobenzene SCHEMBL7953615 | 0.67 | NPSR1 (0.48) | MEN1KMT2AHTTALDH1A1NPSR1 | |
| Nitrobenzene SCHEMBL6689837 | 0.66 | ALDH1A1 (0.76) | MEN1KMT2AALDH1A1TSHRACHE | |
| SCHEMBL7607677 | 0.64 | NPC1 (0.50) | MEN1KMT2AALDH1A1MAPTMAPK1 | |
| SCHEMBL27965901 | 0.64 | KMT2A (0.44) | MEN1KMT2AHTTALDH1A1NPSR1 |
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 |