Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12330277 | 0.81 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL11737698 | 0.73 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL19852722 | 0.73 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL19852738 | 0.73 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL13374694 | 0.73 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL28847750 | 0.73 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL11733763 | 0.70 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL17150980 | 0.70 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL11038936 | 0.67 | HDAC3 (0.30) | — | |
| Zinc Ion SCHEMBL2923807 | 0.67 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2 |
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-8288400-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-16 | — | — | US | disclosed |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | 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-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | NOS1 3481/4885ALDH1A1 4728/4885SMN1; SMN2 1796/4885 |
“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.