Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | GLP1R | P43220 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 7/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23198681 | 0.89 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL23198684 | 0.86 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL30474276 | 0.80 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL23202573 | 0.80 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2NPC1MAPTHTT | |
| SCHEMBL9729781 | 0.80 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2MAPTMAPK1CYP1A2 | |
| SCHEMBL9319008 | 0.78 | TNF (0.50) | ALDH1A1SMN1; SMN2MAPTHTTTP53 | |
| SCHEMBL163381 | 0.78 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2MAPTNPSR1CYP1A2 | |
| SCHEMBL23198535 | 0.77 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPC1MAPTCYP1A2 | |
| SCHEMBL31254231 | 0.77 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2NPC1MAPTCYP1A2 | |
| SCHEMBL25893827 | 0.77 | CYP1A2 (0.43) | ALDH1A1SMN1; SMN2NPC1MAPTHTT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3185865-B1 | TETRAHYDRONAPTHTYRIDINE DERIVATIVES AS MGLUR2 NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE. | MERCK SHARP & DOHME (US) | 2020-07-15 | — | — | EP | disclosed |
| US-10072003-B2 | Tetrahydronaphthyridine derivatives as mGluR2-negative allosteric modulators, compositions, and their use | MERCK SHARP & DOHME CORP. | 2018-09-11 | — | — | US | disclosed |
| US-20170305902-A1 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2017-10-26 | — | — | US | disclosed |
| EP-3185865-A1 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | Merck Sharp & Dohme Corp. (US) | 2017-07-05 | — | — | EP | disclosed |
| WO-2016029454-A1 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2016-03-03 | — | — | WO | disclosed |
| WO-2016032921-A1 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2016-03-03 | — | — | 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 (2 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-10072003-B2 | Tetrahydronaphthyridine derivatives as mGluR2-negative allosteric modulators, compositions, and their use | GRIN2A, GRIN2C, GRIN2B | ALDH1A1 4527/4885SMN1; SMN2 548/4885NPC1 959/4885 |
| US-20170305902-A1 | TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE | GRIN2A, GRIN2C, GRIN2B | ALDH1A1 4527/4885SMN1; SMN2 548/4885NPC1 959/4885 |
“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.