Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.89 |
| ▸ | LMNA | P02545 | 2/20 | 0.89 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | CRHBP | P24387 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.58 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 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 SCHEMBL9800397 | 0.97 | ALDH1A1 (0.84) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL27572023 | 0.97 | ALDH1A1 (0.94) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL17765480 | 0.97 | ALDH1A1 (0.94) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL11144731 | 0.94 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL11050641 | 0.94 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL897631 | 0.94 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL28552423 | 0.94 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL28501265 | 0.94 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL1330714 | 0.94 | — | — | |
| Nitrobenzene SCHEMBL2358164 | 0.94 | ALDH1A1 (1.00) | ALDH1A1LMNATSHRL3MBTL1MEN1 |
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-4434285-A | POLYMERIZATION OF P-DIMETHOXYBENZENE IN PRESENCE OF LEWIS ACID AND OXIDANT | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1984-02-28 | — | — | US | disclosed |