Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.37 |
| ▸ | CLPP | Q16740 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.35 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.35 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10232283 | 0.91 | GPR52 (0.38) | AKR1B1DAOHTR2AGRM2TNIK | |
| SCHEMBL4487029 | 0.89 | AKR1B1 (0.36) | AKR1B1DAOPARP1HTR2AGRM2 | |
| SCHEMBL1336948 | 0.88 | AKR1B1 (0.38) | AKR1B1DAOHTR2AGRM2EZH2 | |
| SCHEMBL4488507 | 0.87 | AKR1B1 (0.47) | AKR1B1 | |
| SCHEMBL4939209 | 0.87 | ALDH1A1 (0.43) | EZH2 | |
| SCHEMBL4478453 | 0.86 | DAO (0.39) | AKR1B1DAOPARP1CLPPHTR2A | |
| SCHEMBL10233472 | 0.84 | AKR1B1 (0.34) | AKR1B1DAOTNIK | |
| SCHEMBL16982800 | 0.84 | EZH2 (0.35) | AKR1B1CLPPTNIKEZH2 | |
| SCHEMBL16978651 | 0.84 | DDB1 (0.44) | PARP1RNASEH1 | |
| SCHEMBL10232663 | 0.83 | TNIK (0.34) | AKR1B1DAOHTR2AGRM2TNIK |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150218164-A1 | SUBSTITUTED NAPHTHYRIDINEDIONE DERIVATIVES AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2015-08-06 | — | — | US | disclosed |
| US-20150218164-A1 | SUBSTITUTED NAPHTHYRIDINEDIONE DERIVATIVES AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. | 2015-08-06 | — | — | US | disclosed |
| EP-2632454-A1 | HIV INTEGRASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058173-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |
| WO-2012058173-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |
| US-7598264-B2 | HIV integrase inhibitors | MERCK & CO., INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-20080280945-A1 | Crystalline forms of an HIV integrase inhibitor | MERCK SHARP & DOHME CORP. | 2008-11-13 | — | — | US | disclosed |
| US-20080280945-A1 | Crystalline forms of an HIV integrase inhibitor | MERCK SHARP & DOHME CORP. | 2008-11-13 | — | — | US | disclosed |
| US-20080280945-A1 | Crystalline forms of an HIV integrase inhibitor | MERCK SHARP & DOHME CORP. | 2008-11-13 | — | — | US | disclosed |
| US-20070179196-A1 | Hiv integrase inhibitors | MERCK SHARP & DOHME CORP. | 2007-08-02 | — | — | US | disclosed |
| EP-1725556-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005087768-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-09-22 | — | — | 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 (3 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-20080280945-A1 | Crystalline forms of an HIV integrase inhibitor | TYMP, SAMHD1, ACIN1 | AKR1B1 2348/4885DAO 2838/4885PARP1 984/4885 |
| US-20070179196-A1 | Hiv integrase inhibitors | REV1, TYMP, POLR2H | AKR1B1 2248/4885DAO 2755/4885PARP1 476/4885 |
| US-20150218164-A1 | SUBSTITUTED NAPHTHYRIDINEDIONE DERIVATIVES AS HIV INTEGRASE INHIBITORS | SAMHD1, ENTPD5, DUT | AKR1B1 751/4885DAO 3139/4885PARP1 61/4885 |
“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.