Known targets — ChEMBL curated mechanism
CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1
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 | 4/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | CRHBP | P24387 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
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 SCHEMBL11333335 | 0.90 | ALDH1A1 (0.73) | ALDH1A1LMNACES1CES2L3MBTL1 | |
| Nitrobenzene SCHEMBL23406805 | 0.86 | ALDH1A1 (0.61) | ALDH1A1LMNACES1CES2L3MBTL1 | |
| Lactic Acid SCHEMBL27536856 | 0.86 | MAPK1 (0.66) | ALDH1A1LMNACES1CES2L3MBTL1 | |
| Nitrobenzene SCHEMBL6689837 | 0.83 | ALDH1A1 (0.76) | ALDH1A1LMNACES1CES2L3MBTL1 | |
| Nitrobenzene SCHEMBL11331939 | 0.83 | ALDH1A1 (0.76) | ALDH1A1LMNACES1CES2L3MBTL1 | |
| Nitrobenzene SCHEMBL3489404 | 0.83 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2L3MBTL1 | |
| Nitrobenzene SCHEMBL6858789 | 0.83 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2L3MBTL1 | |
| Nitrobenzene SCHEMBL2029354 | 0.83 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2L3MBTL1 | |
| Nitrobenzene SCHEMBL27075815 | 0.83 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2L3MBTL1 | |
| Nitrobenzene SCHEMBL1954442 | 0.83 | ALDH1A1 (0.84) | ALDH1A1LMNACES1CES2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111741956-A | Antiparasitic depsipeptides | 硕腾服务有限责任公司 | 2020-10-02 | — | — | CN | disclosed |