Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.55 |
| ▸ | SLC9A1 | P19634 | 8/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL20294466 | 0.88 | ALDH1A1 (0.55) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL13275470 | 0.87 | ALDH1A1 (0.47) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL8060038 | 0.84 | ALDH1A1 (0.52) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL26427177 | 0.84 | SLC9A1 (0.52) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL29479858 | 0.83 | SLC9A1 (0.54) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL6794284 | 0.83 | SLC9A1 (0.54) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL8601954 | 0.81 | MAPT (0.48) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL7526304 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL5200373 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 | |
| SCHEMBL1083846 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP1A2MAPTCYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130225583-A1 | SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. | 2013-08-29 | — | — | US | disclosed |
| EP-2629616-A2 | SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-08-28 | — | — | EP | disclosed |
| WO-2012054366-A2 | SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-04-26 | — | — | 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-20130225583-A1 | SUBSTITUTED AMINO-TRIAZOLYL PDE10 INHIBITORS | PDE10A, PDE12, PDE4A | ALDH1A1 1409/4885CYP1A2 1938/4885MAPT 1309/4885 |
“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.