Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAK1 | Q13153 | 5/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8271758 | 0.90 | PAK1 (0.49) | PAK1HPGDSLMNA | |
| SCHEMBL14349392 | 0.89 | ABL1 (0.49) | PAK1PDPK1HPGDSAOC3CYP2D6 | |
| SCHEMBL14349470 | 0.88 | PAK1 (0.49) | PAK1HPGDS | |
| SCHEMBL8271768 | 0.88 | PAK1 (0.49) | PAK1HPGDSMAPTLMNACYP2D6 | |
| SCHEMBL5657638 | 0.88 | HPGDS (0.47) | PAK1HPGDSMAPK1LMNA | |
| SCHEMBL4310748 | 0.88 | HPGDS (0.47) | PAK1HPGDSMAPK1LMNA | |
| SCHEMBL8271771 | 0.86 | HPGDS (0.43) | PAK1HPGDSCYP2D6 | |
| SCHEMBL14349390 | 0.86 | GRIN2B (0.52) | PAK1HPGDSSMN1; SMN2GAALMNA | |
| SCHEMBL8271777 | 0.85 | PAK1 (0.48) | PAK1PDPK1HPGDSMAPTMAPK1 | |
| SCHEMBL14349389 | 0.83 | CASP3 (0.50) | PAK1HPGDSCYP1A2 |
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 2143/4885PDPK1 1469/4885HPGDS 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.