Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.57 |
| ▸ | CDK8 | P49336 | 1/20 | 0.57 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | XDH | P47989 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | PDE1A | P54750 | 2/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11444451 | 0.86 | NPSR1 (0.61) | CLK4CDK8CDK5KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL2650936 | 0.82 | NPSR1 (0.65) | CLK4CDK8CDK5KDM4EALDH1A1 | |
| SCHEMBL4059335 | 0.81 | CDK8 (0.60) | CLK4CDK8CDK5KDM4EALDH1A1 | |
| SCHEMBL7617054 | 0.79 | CDK8 (0.57) | CLK4CDK8CDK5KDM4EALDH1A1 | |
| SCHEMBL4057416 | 0.78 | ALDH1A1 (0.53) | CLK4CDK5KDM4EALDH1A1HPGD | |
| SCHEMBL4049693 | 0.77 | CDK8 (0.55) | CLK4CDK8CDK5KDM4EALDH1A1 | |
| SCHEMBL7621639 | 0.76 | NPSR1 (0.61) | CLK4CDK8CDK5KDM4EALDH1A1 | |
| SCHEMBL8887039 | 0.76 | ALDH1A1 (0.60) | CLK4KDM4EALDH1A1HPGDGAA | |
| SCHEMBL4053818 | 0.72 | CDK8 (0.57) | CLK4CDK8CDK5KDM4EALDH1A1 | |
| SCHEMBL2899875 | 0.72 | ATM (0.60) | CLK4CDK8CDK5KDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6730676-B2 | CENTRAL NERVOUS SYSTEM DISORDERS; COGNITION ACTIVATORS | MERCK SHARP & DOHME LTD. | 2004-05-04 | — | — | US | disclosed |
| US-20030013716-A1 | Pyrazino-pyridazine derivatives as ligands for gaba receptors | MERCK SHARP & DOHME LTD. (GB) | 2003-01-16 | — | — | US | disclosed |
| EP-1250338-A1 | PYRAZINO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LTD. (GB) | 2002-10-23 | — | — | EP | disclosed |
| WO-2001051492-A1 | PYRAZINO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | MERCK SHARP & DOHME LIMITED (GB) | 2001-07-19 | — | — | 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-20030013716-A1 | Pyrazino-pyridazine derivatives as ligands for gaba receptors | GABRA5, GABRA3, GABRA2 | CLK4 1097/4885CDK8 1872/4885CDK5 365/4885 |
“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.