Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 9/20 | 0.64 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4766074 | 0.99 | CALCA (0.63) | CALCAADORA2AADORA1MAPK1TP53 | |
| SCHEMBL4767331 | 0.99 | CALCA (0.63) | CALCAADORA2AADORA1MAPK1TP53 | |
| Water SCHEMBL6250506 | 0.98 | CALCA (0.62) | CALCAADORA2AADORA1MAPK1TP53 | |
| SCHEMBL4763116 | 0.94 | CALCA (0.62) | CALCAADORA2AADORA1TP53ALOX15 | |
| SCHEMBL4765294 | 0.94 | CALCA (0.64) | CALCAADORA2AADORA1 | |
| SCHEMBL4767366 | 0.93 | CALCA (0.61) | CALCAADORA2AADORA1TP53ALOX15 | |
| SCHEMBL4763112 | 0.93 | CALCA (0.61) | CALCAADORA2AADORA1TP53ALOX15 | |
| SCHEMBL4765622 | 0.93 | CALCA (0.63) | CALCAADORA2AADORA1 | |
| SCHEMBL7262555 | 0.93 | CALCA (0.65) | CALCAADORA2AADORA1COMT | |
| SCHEMBL4762250 | 0.93 | CALCA (0.61) | CALCAADORA2AADORA1TP53ALOX15 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1496836-B1 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2008-09-24 | — | — | EP | claimed |
| US-7323460-B2 | N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2008-01-29 | — | — | US | claimed |
| US-20050176955-A1 | N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors | MERCK SHARP & DOHME CORP. | 2005-08-11 | — | — | US | claimed |
| WO-2003077857-A2 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | claimed |
| EP-1496836-B1 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2008-09-24 | — | — | EP | disclosed |
| US-7323460-B2 | N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as HIV integrase inhibitors | MERCK & CO., INC. (US) | 2008-01-29 | — | — | US | disclosed |
| US-20060211687-A1 | Potassium salt of an hiv integrase inhibitor | MERCK & CO., INC. | 2006-09-21 | — | — | US | disclosed |
| EP-1496836-A4 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2006-03-22 | — | — | EP | disclosed |
| US-20050176955-A1 | N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors | MERCK SHARP & DOHME CORP. | 2005-08-11 | — | — | US | disclosed |
| US-20050165000-A1 | Pharmaceutical compositions containing an hiv integrase inhibitor and a nonionic surfactant | ROBERTSON SANDRA K (US) | 2005-07-28 | — | — | US | disclosed |
| EP-1499391-A2 | PHARMACEUTICAL COMPOSITIONS CONTAINING AN HIV INTEGRASE INHIBITOR AND A NONIONIC SURFACTANT | Merck & Co., Inc. (US) | 2005-01-26 | — | — | EP | disclosed |
| EP-1496836-A2 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| US-20040220273-A1 | Preparation of 2-aminomethyl-5-fluorobenzamides | LEE JAEMOON (US) | 2004-11-04 | — | — | US | disclosed |
| WO-2004080402-A2 | POTASSIUM SALT OF AN HIV INTEGRASE INHIBITOR | MERCK & CO. INC. (US) | 2004-09-23 | — | — | WO | disclosed |
| WO-2003086319-A2 | PHARMACEUTICAL COMPOSITIONS CONTAINING AN HIV INTEGRASE INHIBITOR AND A NONIONIC SURFACTANT | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| WO-2003077857-A2 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |
| WO-2003077850-A2 | N-(SUBSTITUTED BENZYL)-8-HYDROXY-1,6-NAPHTHYRIDINE-7- CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2003-09-25 | — | — | 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 (4 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-20060211687-A1 | Potassium salt of an hiv integrase inhibitor | IMPA1, ATP1A2, KCNJ11 | CALCA 2755/4885ADORA2A 3020/4885ADORA1 583/4885 |
| US-20040220273-A1 | Preparation of 2-aminomethyl-5-fluorobenzamides | CYP2B6, INTS6, HABP2 | CALCA 4803/4885ADORA2A 2705/4885ADORA1 2089/4885 |
| US-20050176955-A1 | N-(substituted benzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamides useful as hiv integrase inhibitors | CDK8, PNP, HINT1 | CALCA 3871/4885ADORA2A 3566/4885ADORA1 1503/4885 |
| US-20050165000-A1 | Pharmaceutical compositions containing an hiv integrase inhibitor and a nonionic surfactant | CDK7, INTS6, POLA1 | CALCA 4164/4885ADORA2A 1949/4885ADORA1 667/4885 |
“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.