Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL5691863 | 0.67 | — | — | |
| SCHEMBL14787273 | 0.66 | CA1 (0.36) | CA1CA9SMN1; SMN2 | |
| SCHEMBL23941240 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL11781543 | 0.63 | CA1 (0.38) | CA1CA9SMN1; SMN2PTGS2 | |
| SCHEMBL23941232 | 0.62 | — | — | |
| SCHEMBL11100164 | 0.62 | SMN1; SMN2 (0.34) | CA1CA9SMN1; SMN2 | |
| Acetonitrile SCHEMBL28059214 | 0.59 | CA1 (0.78) | CA1CA9SMN1; SMN2 | |
| SCHEMBL19582738 | 0.59 | — | — | |
| SCHEMBL12510790 | 0.59 | — | — | |
| SCHEMBL7761702 | 0.58 | CA1 (0.50) | CA1CA9SMN1; SMN2PTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210292293-A1 | NOVEL COMPOUND BASED ON VALEROLACTONE AND MEDICINE | KUSAMA, Kuniko (JP) | 2021-09-23 | — | — | 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-20210292293-A1 | NOVEL COMPOUND BASED ON VALEROLACTONE AND MEDICINE | CYP17A1, HSD17B7, CYP51A1 | CA1 3992/4885CA9 2312/4885SMN1; SMN2 3115/4885 |
“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.