Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2898715 | 0.77 | NPSR1 (0.48) | KCNH2GRIN2BGRM2TP53CYP2D6 | |
| SCHEMBL2899014 | 0.77 | KCNH2 (0.37) | KCNH2GRIN2BGRM2TP53CYP2D6 | |
| SCHEMBL2899197 | 0.77 | KCNH2 (0.39) | KCNH2GRIN2BGRM2TP53AKR1B1 | |
| SCHEMBL13085957 | 0.77 | KCNH2 (0.39) | KCNH2GRIN2BGRM2TP53AKR1B1 | |
| SCHEMBL2899191 | 0.77 | KCNH2 (0.39) | KCNH2GRIN2BGRM2TP53AKR1B1 | |
| SCHEMBL13085825 | 0.77 | KCNH2 (0.39) | KCNH2GRIN2BGRM2TP53AKR1B1 | |
| SCHEMBL2899193 | 0.77 | KCNH2 (0.39) | KCNH2GRIN2BGRM2TP53AKR1B1 | |
| SCHEMBL2900887 | 0.77 | KCNH2 (0.39) | KCNH2GRIN2BGRM2TP53AKR1B1 | |
| SCHEMBL2900890 | 0.77 | KCNH2 (0.39) | KCNH2GRIN2BGRM2TP53AKR1B1 | |
| SCHEMBL2898693 | 0.76 | NPSR1 (0.47) | KCNH2GRM2TP53CYP2D6HRH3 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7820680-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2010-10-26 | — | — | US | claimed |
| US-20080009490-A1 | Hiv Integrase Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-10 | — | — | US | claimed |
| US-7820680-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2010-10-26 | — | — | US | disclosed |
| US-7820680-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2010-10-26 | — | — | US | disclosed |
| US-20080009490-A1 | Hiv Integrase Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-10 | — | — | US | disclosed |
| US-20080009490-A1 | Hiv Integrase Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-10 | — | — | 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-20080009490-A1 | Hiv Integrase Inhibitors | TYMS, UNG, TYMP | KCNH2 3441/4885GRIN2B 3985/4885GRM2 4668/4885 |
“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.