Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dolutegravir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A2 | O15244 | 18/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 1/20 | 1.00 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 1.00 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Dolutegravir SCHEMBL16478545 | 1.00 | SLC22A2 (1.00) | SLC22A2CYP3A4TMEM97ABCG2 | |
| Dolutegravir SCHEMBL29474777 | 1.00 | SLC22A2 (1.00) | SLC22A2CYP3A4TMEM97ABCG2 | |
| Dolutegravir SCHEMBL12264130 | 1.00 | SLC22A2 (1.00) | SLC22A2CYP3A4TMEM97ABCG2 | |
| Dolutegravir SCHEMBL82071 | 1.00 | SLC22A2 (1.00) | SLC22A2CYP3A4TMEM97ABCG2 | |
| Dolutegravir SCHEMBL19929649 | 1.00 | SLC22A2 (1.00) | SLC22A2CYP3A4TMEM97ABCG2 | |
| Dolutegravir SCHEMBL16440366 | 1.00 | SLC22A2 (1.00) | SLC22A2CYP3A4TMEM97ABCG2 | |
| Dolutegravir SCHEMBL80619 | 1.00 | SLC22A2 (1.00) | SLC22A2CYP3A4TMEM97ABCG2 | |
| Dolutegravir SCHEMBL29357473 | 1.00 | SLC22A2 (1.00) | SLC22A2CYP3A4TMEM97ABCG2 | |
| Dolutegravir SCHEMBL10346729 | 1.00 | SLC22A2 (1.00) | SLC22A2CYP3A4TMEM97ABCG2 | |
| Dolutegravir SCHEMBL1835959 | 0.99 | SLC22A2 (0.98) | SLC22A2CYP3A4TMEM97ABCG2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3456721-B1 | METHOD OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIVITORY ACTIVITY | SHIONOGI & CO (JP) | 2021-02-24 | — | — | EP | disclosed |
| US-10000508-B2 | Crystalline dimethyl 3-(benzyloxy)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate | SHIONOGI & CO., LTD (JP) | 2018-06-19 | — | — | US | disclosed |
| US-9969750-B2 | Method of producing (3S,11aR)-6,8-dihalo-3-methyl-2,3,11,11a-tetrahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-5,7-diones | SHIONOGI AND CO., LTD. (JP) | 2018-05-15 | — | — | US | disclosed |
| US-20180044351-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2018-02-15 | — | — | US | disclosed |
| US-20180037592-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2018-02-08 | — | — | US | disclosed |
| US-20180037593-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2018-02-08 | — | — | US | disclosed |
| US-20180037591-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2018-02-08 | — | — | US | disclosed |
| US-9802959-B2 | Method of producing (4R,12aS)-7,9-dihalo-4-methyl-3,4,12,12a-tetrahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-6,8-diones | SHIONOGI & CO., LTD. (JP) | 2017-10-31 | — | — | US | disclosed |
| US-20170240564-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2017-08-24 | — | — | US | disclosed |
| US-9650394-B2 | Methods of producing substituted (3S,11aR)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-Hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamides | SHIONOGI & CO., LTD. (JP) | 2017-05-16 | — | — | US | disclosed |
| EP-2602260-B1 | PROCESS FOR PREPARING COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2016-09-28 | — | — | EP | disclosed |
| US-20160229870-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2016-08-11 | — | — | US | disclosed |
| US-9321789-B2 | Methods of producing substituted (4R,12AS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12A-hexahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-B][1,3]oxazine-9-carboxamides | SHINOGI & CO., LTD. (JP) | 2016-04-26 | — | — | US | disclosed |
| WO-2015138933-A1 | SOLID STATE FORMS OF DOLUTEGRAVIR SODIUM | ASSIA CHEMICAL INDUSTRIES LTD. (IL) | 2015-09-17 | — | — | WO | disclosed |
| US-20150038702-A1 | Method of producing compounds having HIV integrase inhivitory activity | SHINOGI & CO., LTD. (JP) | 2015-02-05 | — | — | US | disclosed |
| US-20140011995-A1 | Process for Preparing Compound Having HIV Integrase Inhibitory Activity | SHINOGI & CO., LTD (JP) | 2014-01-09 | — | — | 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 (9 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-20150038702-A1 | Method of producing compounds having HIV integrase inhivitory activity | XDH, IMPDH1, IMPA1 | SLC22A2 2667/4885CYP3A4 9/4885TMEM97 4360/4885 |
| US-20180037592-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | XDH, DRD4, PYM1 | SLC22A2 2457/4885CYP3A4 4/4885TMEM97 4232/4885 |
| US-20180044351-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | CYP3A4, DRD4, CCND2 | SLC22A2 2412/4885CYP3A4 1/4885TMEM97 4494/4885 |
| US-10000508-B2 | Crystalline dimethyl 3-(benzyloxy)-1-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydropyridine-2,5-dicarboxylate | DPYD, ODC1, PKD1 | SLC22A2 1486/4885CYP3A4 906/4885TMEM97 1386/4885 |
| US-20170240564-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | XDH, DRD4, PYM1 | SLC22A2 2457/4885CYP3A4 4/4885TMEM97 4232/4885 |
| US-20160229870-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | XDH, VRK2, PYM1 | SLC22A2 2676/4885CYP3A4 13/4885TMEM97 4413/4885 |
| US-20140011995-A1 | Process for Preparing Compound Having HIV Integrase Inhibitory Activity | DRD4, XDH, CCND2 | SLC22A2 2547/4885CYP3A4 4/4885TMEM97 3981/4885 |
| US-20180037593-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | XDH, DRD4, PYM1 | SLC22A2 2457/4885CYP3A4 4/4885TMEM97 4232/4885 |
| US-20180037591-A1 | METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY | XDH, DRD4, PYM1 | SLC22A2 2457/4885CYP3A4 4/4885TMEM97 4232/4885 |
“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.