Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.45 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | EDNRB | P24530 | 1/20 | 0.30 |
| ▸ | EDNRA | P25101 | 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 | |
|---|---|---|---|---|
| SCHEMBL18469231 | 0.87 | NOS3 (0.44) | NOS3NOS2HMGCREDNRBEDNRA | |
| SCHEMBL13812332 | 0.87 | HMGCR (0.49) | NOS3NOS2HMGCR | |
| SCHEMBL13184849 | 0.85 | NOS3 (0.38) | NOS3NOS2HMGCRESR1 | |
| SCHEMBL21217335 | 0.82 | NOS3 (0.36) | NOS3NOS2HMGCR | |
| SCHEMBL24626775 | 0.78 | CTSK (0.44) | — | |
| SCHEMBL15830004 | 0.76 | HRH3 (0.36) | ESR1HRH3 | |
| SCHEMBL10286005 | 0.73 | NOS3 (0.31) | NOS3NOS2 | |
| SCHEMBL327924 | 0.73 | CYP1A2 (0.34) | NOS3NOS2 | |
| SCHEMBL3289190 | 0.72 | NOS3 (0.31) | NOS3NOS2 | |
| SCHEMBL12228994 | 0.70 | NOS3 (0.44) | NOS3NOS2ESR1KDM5BHRH3 |
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-8268829-B2 | Substituted pyrimidines useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-20090221602-A1 | PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-09-03 | — | — | 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-20090221602-A1 | PROCESSES FOR PREPARING SUBSTITUTED PYRIMIDINES | AURKA, AURKC, AURKB | NOS3 4560/4885NOS2 4479/4885HMGCR 1803/4885 |
“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.