Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nitric Acid. 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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL28200698 | 0.83 | ALDH1A1 (0.42) | CES2CES1CA5ACA5BMAPT | |
| Nitric Acid SCHEMBL20984275 | 0.79 | RAB9A (0.47) | MAPTSMN1; SMN2RAB9ANPC1ALDH1A1 | |
| Hydrazine SCHEMBL27364486 | 0.78 | ACHE (0.50) | CES2CES1SMN1; SMN2RAB9ANPC1 | |
| Fluorobenzene SCHEMBL31424944 | 0.77 | ALDH1A1 (0.46) | CES2CES1CA5ACA5BMAPT | |
| Fluorobenzene SCHEMBL11811518 | 0.77 | ALDH1A1 (0.46) | CES2CES1CA5ACA5BMAPT | |
| Nitric Acid SCHEMBL6970026 | 0.76 | PLAU (0.59) | MAPTRAB9ANPC1MEN1KMT2A | |
| Nitric Acid SCHEMBL20984625 | 0.76 | CA12 (0.38) | CES2CES1MAPTSMN1; SMN2RAB9A | |
| 1,2-Dichlorobenzene SCHEMBL28200720 | 0.75 | LMNA (0.50) | CES2CES1CA5ACA5BMAPT | |
| Hydrazine SCHEMBL28013386 | 0.74 | ACHE (0.47) | CES2CES1ALDH1A1ALOX15 | |
| Hydrazine SCHEMBL28200219 | 0.74 | ACHE (0.47) | CES2CES1SMN1; SMN2RAB9ANPC1 |
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-107663161-A | A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt | 上海惠和化德生物科技有限公司 | 2018-02-06 | — | — | CN | disclosed |