Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | APP | P05067 | 5/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL48239 | 0.87 | ALDH1A1 (0.75) | ALDH1A1RECQLNR1I2GAACYP3A4 | |
| SCHEMBL28106819 | 0.87 | ALDH1A1 (0.75) | ALDH1A1RECQLNR1I2GAACYP3A4 | |
| Water SCHEMBL29229746 | 0.85 | ALDH1A1 (0.71) | ALDH1A1RECQLNR1I2GAACYP3A4 | |
| Ethylene Glycol SCHEMBL11119213 | 0.85 | ALDH1A1 (0.71) | ALDH1A1RECQLNR1I2GAACYP3A4 | |
| SCHEMBL152501 | 0.82 | ALDH1A1 (0.68) | ALDH1A1RECQLNR1I2GAACYP3A4 | |
| SCHEMBL2720663 | 0.82 | ALDH1A1 (0.68) | ALDH1A1RECQLNR1I2GAACYP3A4 | |
| SCHEMBL9119081 | 0.82 | ALDH1A1 (0.68) | ALDH1A1RECQLNR1I2GAACYP3A4 | |
| SCHEMBL14004241 | 0.82 | ALDH1A1 (0.68) | ALDH1A1RECQLNR1I2GAACYP3A4 | |
| SCHEMBL14151809 | 0.82 | ALDH1A1 (0.56) | ALDH1A1RECQLNR1I2GAACYP3A4 | |
| SCHEMBL4707838 | 0.82 | NQO1 (0.47) | GAASMN1; SMN2APPCA12CA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8222277-B2 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NICOX S.A. (FR) | 2012-07-17 | — | — | US | disclosed |
| US-7754772-B2 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NICOX, S.A. (FR) | 2010-07-13 | — | — | US | disclosed |
| EP-1539729-A4 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-02-20 | — | — | EP | disclosed |
| US-20050222243-A1 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NITROMED, INC. (US) | 2005-10-06 | — | — | US | disclosed |
| EP-1539729-A2 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-15 | — | — | EP | disclosed |
| US-20040024057-A1 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications | NITROMED, INC. | 2004-02-05 | — | — | US | disclosed |
| WO-2004004648-A2 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-15 | — | — | WO | 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-20040024057-A1 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications | NOS2, NOS1, NOS3 | ALDH1A1 383/4885RECQL 1442/4885NR1I2 523/4885 |
| US-20050222243-A1 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NOS2, NOS1, NOS3 | ALDH1A1 385/4885RECQL 1384/4885NR1I2 438/4885 |
“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.