Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL3986049 | 1.00 | TLR4 (0.36) | TLR4CA1CA2CA4KMT2A | |
| SCHEMBL13326232 | 0.78 | TLR4 (0.46) | TLR4 | |
| SCHEMBL3989017 | 0.73 | — | — | |
| SCHEMBL3989012 | 0.73 | — | — | |
| SCHEMBL2016163 | 0.71 | ALDH1A1 (0.37) | KMT2A | |
| SCHEMBL19113522 | 0.70 | — | — | |
| SCHEMBL13909490 | 0.70 | — | — | |
| SCHEMBL31509355 | 0.67 | TLR4 (0.33) | TLR4CA1CA2CA4KMT2A | |
| SCHEMBL11577749 | 0.67 | TLR4 (0.33) | TLR4CA1CA2CA4KMT2A | |
| SCHEMBL812087 | 0.67 | TLR4 (0.33) | TLR4CA1CA2CA4KMT2A |
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-7501535-B2 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION (US) | 2009-03-10 | — | — | US | disclosed |
| US-20040138485-A1 | Chemical synthons and intermediates | PURDUE RESEARCH FOUNDATION | 2004-07-15 | — | — | 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-20040138485-A1 | Chemical synthons and intermediates | STS, TST, CBS | TLR4 4414/4885CA1 3279/4885CA2 4245/4885 |
“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.