Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3985751 | 0.84 | GRM2 (0.45) | KCNH2GRM2TP53LMNAALDH1A1 | |
| SCHEMBL3983983 | 0.82 | GRM2 (0.44) | KCNH2GRM2TP53LMNAALDH1A1 | |
| SCHEMBL1387122 | 0.81 | GRM2 (0.43) | KCNH2GRM2TP53LMNAALDH1A1 | |
| SCHEMBL3992601 | 0.81 | KCNH2 (0.45) | KCNH2GRM2TP53LMNAALDH1A1 | |
| SCHEMBL3986296 | 0.79 | KCNH2 (0.41) | KCNH2GRM2TP53LMNAALDH1A1 | |
| SCHEMBL2898693 | 0.77 | NPSR1 (0.47) | KCNH2GRM2TP53LMNAALDH1A1 | |
| SCHEMBL2900488 | 0.77 | NPSR1 (0.47) | KCNH2GRM2TP53LMNAALDH1A1 | |
| SCHEMBL2898715 | 0.76 | NPSR1 (0.48) | KCNH2GRM2TP53LMNAALDH1A1 | |
| SCHEMBL3986692 | 0.76 | ALDH1A1 (0.39) | TP53LMNAALDH1A1MAPTHTT | |
| SCHEMBL3984034 | 0.76 | ALDH1A1 (0.39) | TP53LMNAALDH1A1MAPTHTT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4824673-B2 | — | — | 2011-11-30 | — | — | JP | claimed |
| US-7538112-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-05-26 | — | — | US | claimed |
| US-20080287394-A1 | Hiv Integrase Inhibitors | MERCK & CO., INC. (US) | 2008-11-20 | — | — | US | claimed |
| EP-1756114-A2 | HIV INTEGRASE INHIBITORS | Merck and Co., Inc. (US) | 2007-02-28 | — | — | EP | claimed |
| WO-2005110414-A2 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-11-24 | — | — | WO | claimed |
| EP-1756114-B1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME (US) | 2014-11-19 | — | — | EP | disclosed |
| US-7538112-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-05-26 | — | — | US | disclosed |
| US-7538112-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-05-26 | — | — | US | disclosed |
| US-20080287394-A1 | Hiv Integrase Inhibitors | MERCK & CO., INC. (US) | 2008-11-20 | — | — | US | disclosed |
| US-20080287394-A1 | Hiv Integrase Inhibitors | MERCK & CO., INC. (US) | 2008-11-20 | — | — | US | disclosed |
| US-20080287394-A1 | Hiv Integrase Inhibitors | MERCK & CO., INC. (US) | 2008-11-20 | — | — | 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-20080287394-A1 | Hiv Integrase Inhibitors | DHPS, DPYD, TYMP | KCNH2 1197/4885GRM2 4663/4885TP53 258/4885 |
“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.