Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | VDR | P11473 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | LDHA | P00338 | 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 | |
|---|---|---|---|---|
| SCHEMBL14194638 | 0.89 | VDR (0.33) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3342415 | 0.86 | ALDH1A1 (0.32) | ALDH1A1CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL4964084 | 0.83 | ALDH1A1 (0.35) | ALDH1A1CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL3343327 | 0.81 | AQP1 (0.40) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4225503 | 0.81 | AQP1 (0.37) | ALDH1A1CYP3A4GAACYP2D6CYP2C9 | |
| SCHEMBL3345385 | 0.76 | HTR2C (0.34) | — | |
| SCHEMBL3343338 | 0.76 | AKR1C3 (0.32) | ALDH1A1 | |
| SCHEMBL3343717 | 0.73 | AQP1 (0.33) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14194640 | 0.73 | — | — | |
| SCHEMBL4230653 | 0.72 | ALDH1A1 (0.38) | ALDH1A1CYP3A4GAACYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100160411-A1 | BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF | WYETH (US) | 2010-06-24 | — | — | US | disclosed |
| US-20100160411-A1 | BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF | WYETH (US) | 2010-06-24 | — | — | US | disclosed |
| US-20100160411-A1 | BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF | WYETH (US) | 2010-06-24 | — | — | US | disclosed |
| WO-2008052078-A2 | BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF | WYETH (US) | 2008-05-02 | — | — | WO | 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-20100160411-A1 | BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF | HTR2C, HTR3B, HTR1A | ALDH1A1 2034/4885CYP3A4 393/4885GAA 4538/4885 |
“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.