Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | CRHBP | P24387 | 2/20 | 0.53 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
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 SCHEMBL11740952 | 0.98 | ALDH1A1 (0.73) | ALDH1A1LMNAL3MBTL1CRHBPCRHR2 | |
| Nitrobenzene SCHEMBL27522104 | 0.96 | ALDH1A1 (0.70) | ALDH1A1LMNAL3MBTL1CRHBPCRHR2 | |
| Nitrobenzene SCHEMBL4658242 | 0.89 | ALDH1A1 (0.80) | ALDH1A1LMNAL3MBTL1CRHBPCRHR2 | |
| Nitrobenzene SCHEMBL11742643 | 0.86 | ALDH1A1 (0.84) | ALDH1A1LMNAL3MBTL1CRHBPCRHR2 | |
| Nitrobenzene SCHEMBL28038784 | 0.86 | ALDH1A1 (0.94) | ALDH1A1LMNAL3MBTL1CRHBPCRHR2 | |
| Nitrobenzene SCHEMBL11762834 | 0.86 | ALDH1A1 (0.94) | ALDH1A1LMNAL3MBTL1CRHBPCRHR2 | |
| Nitrobenzene SCHEMBL7977386 | 0.84 | ALDH1A1 (0.73) | ALDH1A1LMNAL3MBTL1CRHBPCRHR2 | |
| Nitrobenzene SCHEMBL27737077 | 0.84 | ALDH1A1 (0.73) | ALDH1A1LMNAL3MBTL1CRHBPCRHR2 | |
| Nitrobenzene SCHEMBL28079896 | 0.84 | ALDH1A1 (0.73) | ALDH1A1LMNAL3MBTL1CRHBPCRHR2 | |
| Nitrobenzene SCHEMBL11747243 | 0.84 | LMNA (0.59) | ALDH1A1LMNAL3MBTL1CRHBPCRHR2 |
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-107759477-A | A kind of preparation method of p-nitrophenyl ethylamine hydrochloride | 阿里化学(常州)有限公司 | 2018-03-06 | — | — | CN | disclosed |
| CN-104557566-A | Preparation method for 4-nitrobenzene ethylamine hydrobromide | ANHUI DEXINJIA BIOPHARM CO LTD | 2015-04-29 | — | — | CN | disclosed |
| CN-104557566-A | Preparation method for 4-nitrobenzene ethylamine hydrobromide | ANHUI DEXINJIA BIOPHARM CO LTD | 2015-04-29 | — | — | CN | disclosed |