Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.31 |
| ▸ | TLR4 | O00206 | 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 | |
|---|---|---|---|---|
| SCHEMBL3986094 | 1.00 | ALDH1A1 (0.31) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP19A1 | |
| SCHEMBL3986003 | 0.78 | TLR4 (0.40) | CYP19A1TLR4 | |
| SCHEMBL11577749 | 0.77 | TLR4 (0.33) | CYP19A1TLR4 | |
| SCHEMBL13909313 | 0.71 | CYP19A1 (0.36) | CYP19A1TLR4 | |
| SCHEMBL3390606 | 0.68 | ALOX5 (0.36) | CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3390843 | 0.68 | ALOX5 (0.36) | CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3388102 | 0.68 | ALOX5 (0.36) | CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3390127 | 0.68 | ALOX5 (0.36) | CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3389359 | 0.68 | ALOX5 (0.36) | CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3392126 | 0.68 | ALOX5 (0.36) | CYP3A4CYP2D6CYP2C9 |
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 | ALDH1A1 3017/4885CYP3A4 438/4885CYP2D6 182/4885 |
“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.