Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.68 |
| ▸ | MEN1 | O00255 | 4/20 | 0.68 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | USP2 | O75604 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.68 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.46 |
| ▸ | DNMT3L | Q9UJW3 | 1/20 | 0.46 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | GPR174 | Q9BXC1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1542662 | 1.00 | KMT2A (0.68) | KMT2AMEN1MAPTLMNAUSP2 | |
| SCHEMBL12589641 | 1.00 | KMT2A (0.68) | KMT2AMEN1MAPTLMNAUSP2 | |
| SCHEMBL917397 | 1.00 | KMT2A (0.68) | KMT2AMEN1MAPTLMNAUSP2 | |
| SCHEMBL13464148 | 0.88 | KMT2A (0.61) | KMT2AMEN1MAPTLMNAUSP2 | |
| SCHEMBL12589647 | 0.85 | MAPT (0.64) | KMT2AMEN1MAPTLMNAUSP2 | |
| Atovaquone SCHEMBL21694 | 0.85 | MAPT (0.82) | KMT2AMEN1MAPTLMNAUSP2 | |
| Atovaquone SCHEMBL637069 | 0.85 | MAPT (0.82) | KMT2AMEN1MAPTLMNAUSP2 | |
| Atovaquone SCHEMBL20769805 | 0.85 | MAPT (0.82) | KMT2AMEN1MAPTLMNAUSP2 | |
| Atovaquone SCHEMBL9975142 | 0.85 | MAPT (0.82) | KMT2AMEN1MAPTLMNAUSP2 | |
| SCHEMBL9148028 | 0.85 | MAPT (0.64) | KMT2AMEN1MAPTLMNAUSP2 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9169232-B2 | 3-(5-methyl-2-oxo-l, 3-dioxol-4-yl) methyloxy-2-trans-[(4-chloro phenyl) cyclohexyl][1,4]naphthaquinone-atovaquone prodrug | ALKEM LABORATORIES LIMITED (IN) | 2015-10-27 | — | — | US | disclosed |
| US-9169232-B2 | 3-(5-methyl-2-oxo-l, 3-dioxol-4-yl) methyloxy-2-trans-[(4-chloro phenyl) cyclohexyl][1,4]naphthaquinone-atovaquone prodrug | ALKEM LABORATORIES LIMITED (IN) | 2015-10-27 | — | — | US | disclosed |
| US-20140343297-A1 | 3-(5-METHYL-2-OXO-L, 3-DIOXOL-4-YL) METHYLOXY-2- TRANS-[(4-CHLORO PHENYL) CYCLOHEXYL][1,4]NAPHTHAQUINONE-ATOVAQUONE PRODRUG | ALKEM LABORATORIES LTD. (IN) | 2014-11-20 | — | — | US | disclosed |
| US-20140343297-A1 | 3-(5-METHYL-2-OXO-L, 3-DIOXOL-4-YL) METHYLOXY-2- TRANS-[(4-CHLORO PHENYL) CYCLOHEXYL][1,4]NAPHTHAQUINONE-ATOVAQUONE PRODRUG | ALKEM LABORATORIES LTD. (IN) | 2014-11-20 | — | — | US | disclosed |
| WO-2013098832-A2 | NOVEL PROCESS FOR SELECTIVE ISOLATION AND PURIFICATION OF 2-[4-(4-CHLOROPHENYL) CYCLOHEXYL]-3-CHLORO-1, 4-NAPHTHOQUINONE AND ATOVAQUONE | DISHMAN PHARMACEUTICALS & CHEMICALS LTD. (IN) | 2013-07-04 | — | — | WO | disclosed |
| WO-2013093937-A2 | ''3-(5-METHYL-2-OXO-L, 3-DIOXOL-4-YL) METHYLOXY-2- TRANS-[(4-CHLORO PHENYL) CYCLOHEXYL] [1,4]NAPHTHAQUINONE\"-ATOVAQUONE PRODRUG | ALKEM LABORATORIES LTD. (IN) | 2013-06-27 | — | — | WO | disclosed |
| US-8283499-B2 | Preparation of naphthoquinone compounds using 2,3-dihalonaphthoquinone | ALKEM LABORATORIES LIMITED (IN) | 2012-10-09 | — | — | US | disclosed |
| US-8283499-B2 | Preparation of naphthoquinone compounds using 2,3-dihalonaphthoquinone | ALKEM LABORATORIES LIMITED (IN) | 2012-10-09 | — | — | US | disclosed |
| US-8283499-B2 | Preparation of naphthoquinone compounds using 2,3-dihalonaphthoquinone | ALKEM LABORATORIES LIMITED (IN) | 2012-10-09 | — | — | US | disclosed |
| US-20110004024-A1 | PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2,3-DIHALONAPHTHOQUINONE | ALKEM LABORATORIES LIMITED (IN) | 2011-01-06 | — | — | US | disclosed |
| US-20110004024-A1 | PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2,3-DIHALONAPHTHOQUINONE | ALKEM LABORATORIES LIMITED (IN) | 2011-01-06 | — | — | US | disclosed |
| US-20110004024-A1 | PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2,3-DIHALONAPHTHOQUINONE | ALKEM LABORATORIES LIMITED (IN) | 2011-01-06 | — | — | US | disclosed |
| US-7847127-B2 | Process for preparation of atovaquone and novel intermediates thereof | IPCA LABORATORIES LIMITED (IN) | 2010-12-07 | — | — | US | disclosed |
| EP-2250145-A2 | PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2, 3-DIHALONAPTHOQUINONE | Alkem Laboratories Ltd. (IN) | 2010-11-17 | — | — | EP | disclosed |
| US-20100081847-A1 | NEW PROCESS FOR PREPARATION OF ATOVAQUONE AND NOVEL INTERMEDIATES THEREOF | IPCA LABORATORIES LIMITED (IN) | 2010-04-01 | — | — | US | disclosed |
| WO-2009122432-A2 | PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2, 3-DIHALONAPTHOQUINONE | ALKEM LABORATORIES LTD. (IN) | 2009-10-08 | — | — | WO | disclosed |
| WO-2009122432-A2 | PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2, 3-DIHALONAPTHOQUINONE | ALKEM LABORATORIES LTD. (IN) | 2009-10-08 | — | — | WO | disclosed |
| WO-2008122988-A1 | PROCESS FOR PREPARATION OF ATOVAQUONE AND THE CONVERSION OF CIS-ISOMER TO TRANS- ISOMER | CADILA HEALTHCARE LIMITED (IN) | 2008-10-16 | — | — | 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-20140343297-A1 | 3-(5-METHYL-2-OXO-L, 3-DIOXOL-4-YL) METHYLOXY-2- TRANS-[(4-CHLORO PHENYL) CYCLOHEXYL][1,4]NAPHTHAQUINONE-ATOVAQUONE PRODRUG | DHPS, ATIC, DHODH | KMT2A 1517/4885MEN1 3297/4885MAPT 2378/4885 |
| US-20100081847-A1 | NEW PROCESS FOR PREPARATION OF ATOVAQUONE AND NOVEL INTERMEDIATES THEREOF | DHODH, DHPS, CYP1A1 | KMT2A 854/4885MEN1 1960/4885MAPT 4055/4885 |
| US-20110004024-A1 | PREPARATION OF NAPHTHOQUINONE COMPOUNDS USING 2,3-DIHALONAPHTHOQUINONE | RECQL, NQO2, NQO1 | KMT2A 1187/4885MEN1 1821/4885MAPT 4841/4885 |
“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.