Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL2895163 | 0.90 | TP53 (0.38) | TP53AKR1B1KCNH2GRM2MEN1 | |
| SCHEMBL2897900 | 0.82 | KCNH2 (0.36) | CYP2C9AKR1B1KCNH2GRM2MEN1 | |
| SCHEMBL2900405 | 0.79 | FEN1 (0.40) | TP53AKR1B1KCNH2GRM2MEN1 | |
| SCHEMBL2893714 | 0.79 | ALDH1A1 (0.37) | TP53AKR1B1KCNH2GRM2MEN1 | |
| SCHEMBL2900361 | 0.73 | GAA (0.37) | TP53CYP2C9AKR1B1KCNH2GRM2 | |
| SCHEMBL2898803 | 0.72 | KCNH2 (0.38) | TP53AKR1B1KCNH2GRM2CYP2D6 | |
| SCHEMBL2891898 | 0.71 | KCNH2 (0.42) | TP53AKR1B1KCNH2GRM2MEN1 | |
| SCHEMBL2890924 | 0.70 | KCNH2 (0.45) | TP53AKR1B1KCNH2GRM2MEN1 | |
| SCHEMBL2900483 | 0.70 | MEN1 (0.37) | TP53CYP2C9AKR1B1KCNH2GRM2 | |
| SCHEMBL2899014 | 0.70 | KCNH2 (0.37) | TP53KCNH2GRM2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
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 | TP53 564/4885CYP2C9 1681/4885AKR1B1 1473/4885 |
“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.