Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.46 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.43 |
| ▸ | KCNQ4 | P56696 | 3/20 | 0.43 |
| ▸ | KCNQ5 | Q9NR82 | 3/20 | 0.43 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | YAP1 | P46937 | 1/20 | 0.40 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.40 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2834319 | 0.87 | HDAC3 (0.55) | HDAC3HDAC1HDAC2NCOR2RIPK1 | |
| SCHEMBL31407335 | 0.86 | TAAR1 (0.41) | HDAC3HDAC1HDAC2NCOR2KCNQ4 | |
| SCHEMBL2892096 | 0.86 | HDAC3 (0.45) | HDAC3HDAC1HDAC2NCOR2RIPK1 | |
| SCHEMBL3633494 | 0.86 | PPARA (0.40) | HDAC3HDAC1HDAC2NCOR2KCNQ4 | |
| SCHEMBL3858652 | 0.86 | HDAC3 (0.46) | HDAC3HDAC1HDAC2NCOR2CTSS | |
| SCHEMBL12894955 | 0.84 | HDAC3 (0.51) | HDAC3HDAC1HDAC2NCOR2CTSS | |
| SCHEMBL4744310 | 0.83 | SSTR4 (0.56) | HDAC3HDAC1HDAC2NCOR2RIPK1 | |
| SCHEMBL31696741 | 0.83 | HDAC3 (0.40) | HDAC3HDAC1HDAC2NCOR2RIPK1 | |
| SCHEMBL2900197 | 0.83 | KDM1A (0.42) | HDAC3HDAC1HDAC2NCOR2RIPK1 | |
| SCHEMBL2259362 | 0.82 | ROCK1 (0.48) | HDAC3HDAC1HDAC2NCOR2RIPK1 |
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 16 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 | disclosed |
| EP-1725102-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-04-29 | — | — | EP | disclosed |
| EP-1677599-A4 | HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2008-10-22 | — | — | EP | disclosed |
| US-7435735-B2 | Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2008-10-14 | — | — | US | disclosed |
| US-7435735-B2 | Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2008-10-14 | — | — | US | disclosed |
| US-7435735-B2 | Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2008-10-14 | — | — | US | disclosed |
| US-20080009490-A1 | Hiv Integrase Inhibitors | MERCK SHARP & DOHME CORP. | 2008-01-10 | — | — | US | disclosed |
| US-20070093496-A1 | Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors | MERCK SHARP & DOHME CORP. | 2007-04-26 | — | — | US | disclosed |
| US-20070093496-A1 | Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors | MERCK SHARP & DOHME CORP. | 2007-04-26 | — | — | US | disclosed |
| US-20070093496-A1 | Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors | MERCK SHARP & DOHME CORP. | 2007-04-26 | — | — | US | disclosed |
| CN-1929737-A | HIV integrase inhibitors | MERCK & CO INC (US) | 2007-03-14 | — | — | CN | disclosed |
| EP-1725102-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | disclosed |
| CN-1870896-A | Hydroxypyridopyrrolopyrazinedione compounds useful as HIV integrase inhibitors | MERCK & CO INC (US) | 2006-11-29 | — | — | CN | disclosed |
| EP-1677599-A1 | HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005092099-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-10-06 | — | — | WO | disclosed |
| WO-2005041664-A1 | HYDROXY PYRIDOPYRROLOPYRAZINE DIONE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-05-12 | — | — | 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 (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-20080009490-A1 | Hiv Integrase Inhibitors | TYMS, UNG, TYMP | HDAC3 2957/4885HDAC1 1081/4885HDAC2 1354/4885 |
| US-20070093496-A1 | Hydroxy pyridopyrrolopyrazine dione compounds useful as hiv integrase inhibitors | DHPS, DPYD, TYMP | HDAC3 3413/4885HDAC1 1546/4885HDAC2 2404/4885 |
“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.