Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.30 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.30 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.30 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL8261443 | 0.78 | SMN1; SMN2 (0.37) | SIGMAR1ALDH1A1 | |
| SCHEMBL6433910 | 0.78 | — | — | |
| SCHEMBL6431806 | 0.75 | ALDH1A1 (0.36) | ALDH1A1HTT | |
| SCHEMBL932263 | 0.73 | SIGMAR1 (0.34) | SIGMAR1ALDH1A1HTTCHRM5CHRM3 | |
| Hydrochloric Acid SCHEMBL12080211 | 0.72 | SMN1; SMN2 (0.34) | SIGMAR1ALDH1A1HTT | |
| SCHEMBL6430053 | 0.71 | LMNA (0.41) | ALDH1A1 | |
| SCHEMBL1104721 | 0.71 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1HTTCHRM5CHRM3 | |
| Hydrochloric Acid SCHEMBL1308918 | 0.69 | SIGMAR1 (0.43) | SIGMAR1ALDH1A1HTTCHRM5CHRM3 | |
| Bromide SCHEMBL4936619 | 0.69 | SIGMAR1 (0.43) | SIGMAR1ALDH1A1HTTCHRM5CHRM3 | |
| SCHEMBL14584234 | 0.69 | SIGMAR1 (0.39) | SIGMAR1ALDH1A1HTTCHRM5CHRM3 |
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 4 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 | claimed |
| JP-2002528495-A | — | — | 2002-09-03 | — | — | JP | claimed |
| EP-1126838-A1 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000025776-A1 | NITROSATED AND NITROSYLATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2000-05-11 | — | — | WO | claimed |