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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMYD2 | Q9NRG4 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 2/20 | 0.30 |
| ▸ | ACHE | P22303 | 2/20 | 0.30 |
| ▸ | PPARA | Q07869 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3869557 | 0.91 | ALDH1A1 (0.37) | LTB4RALDH1A1SMYD2CYP3A4HTT | |
| SCHEMBL3869948 | 0.82 | SMYD2 (0.35) | LTB4RSMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL4693599 | 0.80 | ALDH1A1 (0.46) | ALDH1A1SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL18290137 | 0.78 | LTB4R (0.35) | LTB4RSMYD2CYP3A4HTTSMN1; SMN2 | |
| Nitric Acid SCHEMBL4693602 | 0.77 | ABL1 (0.37) | LTB4RALDH1A1SMYD2HTTSMN1; SMN2 | |
| SCHEMBL18290086 | 0.74 | TLR2 (0.33) | SMYD2CYP3A4HTTSMN1; SMN2PPARA | |
| SCHEMBL14574001 | 0.73 | PTGS2 (0.38) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL23181701 | 0.73 | SMYD2 (0.32) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL28989853 | 0.72 | SMYD2 (0.36) | LTB4RALDH1A1SMYD2CYP3A4HTT | |
| SCHEMBL31645470 | 0.72 | SMYD2 (0.34) | LTB4RSMYD2CYP3A4HTTSMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7595313-B2 | Nitric oxide donating diuretic compounds, compositions and methods of use | NICOX, S.A. (FR) | 2009-09-29 | — | — | US | disclosed |
| US-20080255101-A1 | NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2008-10-16 | — | — | US | disclosed |
| US-7396829-B2 | such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions | NITROMED, INC. (US) | 2008-07-08 | — | — | US | disclosed |
| EP-1855688-A2 | NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006091716-A2 | NITRIC OXIDE ENHANCING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-08-31 | — | — | WO | disclosed |
| US-20060189603-A1 | such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions | NITROMED, INC. (US) | 2006-08-24 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060189603-A1 | such as 2H-1,2,4-benzothiadiazine-7-sulfonamide, 6-chloro-3,4-dihydro-3-[5-(nitrooxy)pentyl]-, 1,1-dioxide; contains at least one nitric oxide enhancing group; excessive water or electrolyte retention conditions; cardiovascular diseases, and diseases resulting from oxidative or endothelial dysfunctions | NOS1, NOS3, REN | LTB4R 1449/4885ALDH1A1 389/4885SMYD2 1507/4885 |
| US-20080255101-A1 | NITRIC OXIDE DONATING DIURETIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NOS1, NOS3, NOS2 | LTB4R 1079/4885ALDH1A1 954/4885SMYD2 2071/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.