Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 11/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14349470 | 0.91 | PAK1 (0.49) | PAK1HPGDSGRIN2BCA12CA1 | |
| SCHEMBL8271768 | 0.91 | PAK1 (0.49) | PAK1HPGDSLMNAGRIN2BKCNH2 | |
| SCHEMBL4310748 | 0.90 | HPGDS (0.47) | PAK1HPGDSLMNAGRIN2BCNR2 | |
| SCHEMBL5657638 | 0.90 | HPGDS (0.47) | PAK1HPGDSLMNAGRIN2BCNR2 | |
| SCHEMBL14349391 | 0.90 | PAK1 (0.48) | PAK1HPGDSLMNA | |
| SCHEMBL14349389 | 0.89 | CASP3 (0.50) | PAK1HPGDS | |
| SCHEMBL14349390 | 0.88 | GRIN2B (0.52) | PAK1HPGDSLMNAHTTGRIN2B | |
| SCHEMBL8271771 | 0.88 | HPGDS (0.43) | PAK1HPGDSGRIN2BKCNH2CA12 | |
| SCHEMBL14349392 | 0.86 | ABL1 (0.49) | PAK1HPGDSGRIN2BKCNH2CNR2 | |
| SCHEMBL14349428 | 0.85 | PAK1 (0.47) | PAK1HPGDSLMNAGRIN2BCNR2 |
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-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 |
| 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 2143/4885NPC1 2351/4885RAB9A 1225/4885 |
“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.