Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 4/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KLK7 | P49862 | 1/20 | 0.35 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3307159 | 1.00 | CYP1A2 (0.40) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL4433842 | 0.92 | ITGB3 (0.40) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL4433837 | 0.90 | ITGB3 (0.39) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL3308250 | 0.88 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL3308251 | 0.88 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL3307583 | 0.88 | CYP1A2 (0.39) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL13396343 | 0.85 | CTSL (0.46) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL16124745 | 0.84 | CTSK (0.44) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL9442147 | 0.82 | CTSK (0.50) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL9442153 | 0.82 | CTSK (0.50) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100099729-A1 | NITRIC OXIDE DONOR COMPOUNDS | NICOX S.A. (FR) | 2010-04-22 | — | — | US | disclosed |
| US-20100099729-A1 | NITRIC OXIDE DONOR COMPOUNDS | NICOX S.A. (FR) | 2010-04-22 | — | — | 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 (1 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-20100099729-A1 | NITRIC OXIDE DONOR COMPOUNDS | NOS3, NOS2, NOS1 | CYP1A2 406/4885CYP2C9 221/4885CYP2C19 132/4885 |
“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.