Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 15/20 | 0.55 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14349398 | 0.91 | PAK1 (0.55) | PAK1GRIN2BHPGDSKCNH2CYP2D6 | |
| SCHEMBL14349467 | 0.91 | PAK1 (0.55) | PAK1GRIN2BHPGDSKCNH2CYP2D6 | |
| SCHEMBL5661133 | 0.91 | PAK1 (0.49) | PAK1GRIN2BHPGDSKCNH2CYP2D6 | |
| SCHEMBL14349403 | 0.91 | PAK1 (0.49) | PAK1GRIN2BHPGDSKCNH2CYP2D6 | |
| SCHEMBL14349422 | 0.84 | PAK1 (0.52) | PAK1GRIN2BHPGDSKCNH2CYP2D6 | |
| SCHEMBL5660519 | 0.79 | PAK1 (0.53) | PAK1GRIN2BHPGDSKCNH2CYP2D6 | |
| SCHEMBL14349405 | 0.78 | PAK1 (0.47) | PAK1GRIN2BHPGDSKCNH2CYP2D6 | |
| SCHEMBL14349410 | 0.78 | PAK1 (0.51) | PAK1GRIN2BHPGDSKCNH2CYP2D6 | |
| SCHEMBL8271758 | 0.78 | PAK1 (0.49) | PAK1GRIN2BHPGDSKCNH2 | |
| SCHEMBL14349408 | 0.76 | PAK1 (0.45) | PAK1GRIN2BHPGDSKCNH2CYP2D6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1797094-A4 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2009-06-03 | — | — | EP | disclosed |
| US-20070293515-A1 | 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists | MERCK SHARP & DOHME CORP. | 2007-12-20 | — | — | US | disclosed |
| US-20070293515-A1 | 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists | MERCK SHARP & DOHME CORP. | 2007-12-20 | — | — | US | disclosed |
| US-20070293515-A1 | 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists | MERCK SHARP & DOHME CORP. | 2007-12-20 | — | — | US | disclosed |
| EP-1797094-A2 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | Merck & Co. Inc. (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006017409-A2 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2006-02-16 | — | — | WO | disclosed |
| WO-2006017409-A2 | 1,3-DISUBSTITUTED HETEROARYL NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2006-02-16 | — | — | 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-20070293515-A1 | 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists | GRIN2B, GRIN2A, GRIN1 | PAK1 2143/4885GRIN2B 1/4885HPGDS 1733/4885 |
“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.