Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MLYCD | O95822 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 2/20 | 0.30 |
| ▸ | CA5A | P35218 | 2/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5555207 | 0.83 | CA2 (0.48) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL25135055 | 0.78 | TAS1R3 (0.46) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL25967196 | 0.78 | NPSR1 (0.36) | ALDH1A1POLB | |
| SCHEMBL25135063 | 0.78 | TAS1R3 (0.46) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL25134488 | 0.78 | TAS1R3 (0.46) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL958597 | 0.77 | CA2 (0.46) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL865062 | 0.75 | CA2 (0.43) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL7219098 | 0.75 | CA2 (0.43) | CA2ESR1KCNH2ALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL29891850 | 0.75 | MLYCD (0.44) | CA2ESR1KCNH2ALDH1A1POLB | |
| SCHEMBL25755212 | 0.74 | CA2 (0.39) | CA2ESR1KCNH2ALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1126838-A4 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2005-02-16 | — | — | EP | disclosed |
| US-20030207919-A1 | Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use | NICOX S.A. (FR) | 2003-11-06 | — | — | US | disclosed |
| US-6593347-B2 | Especially a nitrosated and/or nitrosylated arylpropionic acid, arylacetic acid, enolic anilide or an oxicam | NITROMED, INC. | 2003-07-15 | — | — | US | disclosed |
| US-20020016322-A1 | Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use | NICOX S.A. (FR) | 2002-02-07 | — | — | US | disclosed |
| US-6297260-B1 | Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use | NITROMED, INC. | 2001-10-02 | — | — | US | disclosed |
| EP-1126838-A1 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025776-A1 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2000-05-11 | — | — | 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-20020016322-A1 | Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use | NOS2, NOS3, NOS1 | CA2 322/4885ESR1 2469/4885KCNH2 3362/4885 |
| US-20030207919-A1 | Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use | NOS2, NOS1, NOS3 | CA2 584/4885ESR1 2595/4885KCNH2 2882/4885 |
“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.