Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AQP1 | P29972 | 3/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 6/20 | 0.32 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.31 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.31 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.30 |
| ▸ | WNT3A | P56704 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3341809 | 0.89 | AQP1 (0.40) | AQP1HTR2CHSD11B1 | |
| SCHEMBL3345421 | 0.85 | AQP1 (0.42) | AQP1 | |
| SCHEMBL14194637 | 0.83 | — | — | |
| SCHEMBL3343338 | 0.80 | AKR1C3 (0.32) | TRPA1AKR1C3AKR1C2ALDH1A1 | |
| SCHEMBL3342415 | 0.78 | ALDH1A1 (0.32) | ALDH1A1CYP3A4CYP2D6CYP2C19HSD11B1 | |
| SCHEMBL3347355 | 0.78 | AQP1 (0.54) | AQP1 | |
| SCHEMBL4226266 | 0.73 | AQP1 (0.59) | AQP1TRPA1TRPM8TRPV1ATM | |
| SCHEMBL3345385 | 0.73 | HTR2C (0.34) | AQP1TRPA1AKR1C3AKR1C2HTR2C | |
| SCHEMBL3343978 | 0.73 | AQP1 (0.50) | AQP1HTR2AHTR2C | |
| SCHEMBL3347640 | 0.72 | AKR1C3 (0.39) | AKR1C3AKR1C2ALDH1A1HTTTHRA |
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 5 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 |
| 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 | AQP1 2605/4885TRPA1 576/4885TRPM8 378/4885 |
“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.