Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.38 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL84380 | 0.80 | CYP3A4 (0.43) | CYP11B1CYP11B2CYP3A4MKNK2ROCK2 | |
| SCHEMBL13779689 | 0.77 | CYP11B1 (0.58) | CYP11B1CYP11B2CYP3A4MKNK2ROCK2 | |
| Hydrochloric Acid SCHEMBL30190565 | 0.76 | CYP11B1 (0.39) | CYP11B1CYP11B2CYP3A4MKNK2ROCK2 | |
| Hydrochloric Acid SCHEMBL27232916 | 0.76 | CYP11B1 (0.39) | CYP11B1CYP11B2CYP3A4MKNK2ROCK2 | |
| Hydrochloric Acid SCHEMBL27232910 | 0.76 | CYP11B1 (0.39) | CYP11B1CYP11B2CYP3A4MKNK2ROCK2 | |
| SCHEMBL28483677 | 0.75 | CYP3A4 (0.46) | CYP11B1CYP11B2CYP3A4MKNK2ROCK2 | |
| SCHEMBL17827956 | 0.74 | CYP3A4 (0.40) | CYP11B1CYP11B2CYP3A4MKNK2ROCK2 | |
| SCHEMBL20793011 | 0.73 | HCAR2 (0.34) | — | |
| SCHEMBL12284707 | 0.73 | CYP3A4 (0.39) | CYP11B1CYP11B2CYP3A4MKNK2ROCK2 | |
| SCHEMBL27317354 | 0.73 | CYP11B2 (0.44) | CYP11B1CYP11B2CYP3A4MKNK2ROCK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170305902-A1 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-10-26 | — | — | 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-20170305902-A1 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | GRIN2A, GRIN2C, GRIN2B | CYP11B1 2708/4885CYP11B2 1785/4885CYP3A4 1819/4885 |
“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.