Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 9/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.37 |
| ▸ | COMT | P21964 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4072599 | 0.99 | CALCA (0.68) | CALCAKDM4ETP53ALOX15USP2 | |
| SCHEMBL4067727 | 0.97 | CALCA (0.65) | CALCAKDM4ETP53ALOX15USP2 | |
| SCHEMBL4067974 | 0.90 | CALCA (0.56) | CALCAKDM4ETP53ALOX15USP2 | |
| SCHEMBL4769028 | 0.87 | CALCA (0.74) | CALCAKDM4ETP53ALOX15L3MBTL1 | |
| SCHEMBL4066023 | 0.87 | CALCA (0.54) | CALCAKDM4EMAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL7262571 | 0.87 | CALCA (0.53) | CALCAKDM4ETP53ALOX15USP2 | |
| SCHEMBL968119 | 0.86 | CALCA (0.78) | CALCATP53ALOX15COMT | |
| SCHEMBL4762076 | 0.86 | CALCA (0.52) | CALCAKDM4ETP53ALOX15USP2 | |
| SCHEMBL14446830 | 0.84 | CALCA (0.53) | CALCAKDM4ETP53HTTSMN1; SMN2 | |
| SCHEMBL7258795 | 0.84 | CALCA (0.69) | CALCAKDM4EL3MBTL1COMT |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1664046-B1 | AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS | GILEAD SCIENCES INC (US) | 2009-06-17 | — | — | EP | disclosed |
| EP-1326865-B1 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-05-06 | — | — | EP | disclosed |
| EP-1326865-B1 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-05-06 | — | — | EP | disclosed |
| US-7462721-B2 | Aza-quinolinol phosphonate integrase inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2008-12-09 | — | — | US | disclosed |
| US-7462721-B2 | Aza-quinolinol phosphonate integrase inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2008-12-09 | — | — | US | disclosed |
| US-7462721-B2 | Aza-quinolinol phosphonate integrase inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2008-12-09 | — | — | US | disclosed |
| 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-20080076738-A1 | Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds | GILEAD SCIENCES, INC. | 2008-03-27 | — | — | US | disclosed |
| US-20080076738-A1 | Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds | GILEAD SCIENCES, INC. | 2008-03-27 | — | — | US | disclosed |
| US-20080076738-A1 | Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds | GILEAD SCIENCES, INC. | 2008-03-27 | — | — | US | 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 |
| EP-1326865-A2 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| US-20030119823-A1 | Sodium salt of an HIV integrase inhibitor | MERCK & CO., INC. | 2003-06-26 | — | — | US | disclosed |
| US-20030055071-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | MERCK SHARP & DOHME CORP. | 2003-03-20 | — | — | US | disclosed |
| WO-2003016309-A1 | PROCESS FOR PREPARING 5-SULFONAMIDO-8-HYDROXY-1, 6-NAPHTHYRIDINE-7-CARBOXAMIDES | MERCK & CO., INC. (US) | 2003-02-27 | — | — | WO | disclosed |
| WO-2003016315-A1 | SODIUM SALT OF AN HIV INTEGRASE INHIBITOR | MERCK & CO., INC. (US) | 2003-02-27 | — | — | WO | disclosed |
| WO-2003016294-A1 | PROCESS FOR PREPARING SULTAMS | MERCK & CO., INC. (US) | 2003-02-27 | — | — | WO | disclosed |
| WO-2002030930-A2 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2002-04-18 | — | — | WO | disclosed |
| WO-2002030931-A2 | AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2002-04-18 | — | — | 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-20030055071-A1 | Aza- and polyaza-naphthalenyl carboxamides useful as HIV integrase inhibitors | POLI, DUT, NAAA | CALCA 3366/4885KDM4E 288/4885TP53 1068/4885 |
| US-20080076738-A1 | Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds | TYMP, PNP, PIKFYVE | CALCA 4603/4885KDM4E 1618/4885TP53 1308/4885 |
| US-20030119823-A1 | Sodium salt of an HIV integrase inhibitor | IMPA1, IMPDH1, SLC28A1 | CALCA 3125/4885KDM4E 2079/4885TP53 2211/4885 |
“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.