Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.30 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | IDH1 | O75874 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23385556 | 1.00 | CYP3A4 (0.31) | CYP3A4CYP2C19HRH3HRH4ALDH1A1 | |
| SCHEMBL24214709 | 0.75 | CYP3A4 (0.38) | CYP3A4CYP2C19 | |
| SCHEMBL20851535 | 0.73 | NOS3 (0.42) | — | |
| SCHEMBL14236120 | 0.73 | JAK2 (0.40) | — | |
| SCHEMBL17465695 | 0.73 | CACNA1F (0.34) | IDH1 | |
| SCHEMBL12310369 | 0.72 | SLC6A2 (0.47) | CYP3A4HRH3ALDH1A1 | |
| SCHEMBL13081517 | 0.72 | SLC6A2 (0.47) | CYP3A4HRH3ALDH1A1 | |
| SCHEMBL125581 | 0.72 | SLC6A2 (0.47) | CYP3A4HRH3ALDH1A1 | |
| SCHEMBL19086882 | 0.72 | HTT (0.32) | ALDH1A1IDH1HPGD | |
| SCHEMBL241029 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3894413-B1 | PYRAZOLOPYRIMIDINE PDE9 INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-11-15 | — | — | EP | disclosed |
| US-20220017526-A1 | PYRAZOLOPYRIMIDINE PDE9 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2022-01-20 | — | — | US | disclosed |
| WO-2020065614-A1 | MONOACYLGLYCEROL LIPASE MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2020-04-02 | — | — | WO | disclosed |
| US-20160024004-A1 | NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-01-28 | — | — | 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 (2 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-20160024004-A1 | NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION | HAVCR2, EIF2AK2, NR1H4 | CYP3A4 882/4885CYP2C19 1094/4885HRH3 4223/4885 |
| US-20220017526-A1 | PYRAZOLOPYRIMIDINE PDE9 INHIBITORS | PDE9A, PDE5A, PDE12 | CYP3A4 2253/4885CYP2C19 268/4885HRH3 2166/4885 |
“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.