Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 12/20 | 0.55 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL14349467 | 1.00 | PAK1 (0.55) | PAK1GRIN2BHPGDSMKNK1BTK | |
| SCHEMBL4225663 | 0.91 | PAK1 (0.55) | PAK1GRIN2BHPGDSCYP2D6KCNH2 | |
| SCHEMBL14349403 | 0.91 | PAK1 (0.49) | PAK1GRIN2BHPGDSCYP2D6KCNH2 | |
| SCHEMBL5661133 | 0.91 | PAK1 (0.49) | PAK1GRIN2BHPGDSCYP2D6KCNH2 | |
| SCHEMBL14349406 | 0.84 | PAK1 (0.52) | PAK1GRIN2BHPGDSMKNK1BTK | |
| SCHEMBL14349405 | 0.78 | PAK1 (0.47) | PAK1GRIN2BHPGDSCYP2D6KCNH2 | |
| SCHEMBL14349418 | 0.78 | PAK1 (0.50) | PAK1GRIN2BHPGDSMKNK1BTK | |
| SCHEMBL14349470 | 0.78 | PAK1 (0.49) | PAK1GRIN2BHPGDSMKNK1 | |
| SCHEMBL14349443 | 0.74 | PAK1 (0.52) | PAK1GRIN2BHPGDSCYP2D6KCNH2 | |
| SCHEMBL14349422 | 0.74 | PAK1 (0.52) | PAK1GRIN2BHPGDSCYP2D6KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
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.