Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2898490 | 0.81 | KCNH2 (0.41) | KCNH2GRM2CYP2D6HRH3ALDH1A1 | |
| SCHEMBL2894894 | 0.78 | PSEN1 (0.46) | KCNH2GRM2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL2898871 | 0.78 | HDAC1 (0.40) | CYP2D6HRH3PKM | |
| SCHEMBL2898100 | 0.77 | MEN1 (0.40) | KCNH2GRM2CYP2D6HRH3ALDH1A1 | |
| SCHEMBL2891980 | 0.76 | KCNH2 (0.41) | KCNH2GRM2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL2898168 | 0.76 | KCNH2 (0.41) | KCNH2GRM2CYP2D6HRH3ALDH1A1 | |
| SCHEMBL2890924 | 0.75 | KCNH2 (0.45) | KCNH2GRM2CYP2D6HRH3ALDH1A1 | |
| SCHEMBL2895650 | 0.72 | MAOB (0.38) | KCNH2GRM2CYP2D6HRH3P2RX7 | |
| SCHEMBL2891898 | 0.71 | KCNH2 (0.42) | KCNH2GRM2CYP2D6HRH3P2RX7 | |
| SCHEMBL3902833 | 0.70 | GRM2 (0.47) | KCNH2GRM2CYP2D6HRH3ALDH1A1 |
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 14 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 |
| EP-1725102-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-04-29 | — | — | EP | claimed |
| US-20080009490-A1 | Hiv Integrase Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-10 | — | — | US | claimed |
| EP-1725102-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | claimed |
| WO-2005092099-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-10-06 | — | — | WO | 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-7820680-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2010-10-26 | — | — | US | disclosed |
| EP-1725102-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-04-29 | — | — | EP | 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 |
| US-20080009490-A1 | Hiv Integrase Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-10 | — | — | US | disclosed |
| EP-1725102-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005092099-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-10-06 | — | — | 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-20080009490-A1 | Hiv Integrase Inhibitors | TYMS, UNG, TYMP | KCNH2 3441/4885GRM2 4668/4885CYP2D6 2040/4885 |
“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.