Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Atovaquone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.82 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.82 |
| ▸ | MEN1 | O00255 | 3/20 | 0.82 |
| ▸ | LMNA | P02545 | 2/20 | 0.82 |
| ▸ | USP2 | O75604 | 1/20 | 0.82 |
| ▸ | TP53 | P04637 | 1/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.82 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.82 |
| ▸ | HPGD | P15428 | 1/20 | 0.82 |
| ▸ | TSHR | P16473 | 1/20 | 0.82 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.82 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | TDP2 | O95551 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Atovaquone SCHEMBL21694 | 1.00 | MAPT (0.82) | MAPTKMT2AMEN1LMNAUSP2 | |
| Atovaquone SCHEMBL20769805 | 1.00 | MAPT (0.82) | MAPTKMT2AMEN1LMNAUSP2 | |
| Atovaquone SCHEMBL637069 | 1.00 | MAPT (0.82) | MAPTKMT2AMEN1LMNAUSP2 | |
| Atovaquone SCHEMBL9975142 | 1.00 | MAPT (0.82) | MAPTKMT2AMEN1LMNAUSP2 | |
| Atovaquone SCHEMBL29559044 | 1.00 | MAPT (0.82) | MAPTKMT2AMEN1LMNAUSP2 | |
| Atovaquone SCHEMBL8848607 | 1.00 | MAPT (0.82) | MAPTKMT2AMEN1LMNAUSP2 | |
| Atovaquone SCHEMBL8851283 | 0.90 | MAPT (0.67) | MAPTKMT2AMEN1LMNAUSP2 | |
| SCHEMBL21695 | 0.90 | MAPT (1.00) | MAPTKMT2AMEN1LMNAUSP2 | |
| SCHEMBL1649508 | 0.90 | MAPT (1.00) | MAPTKMT2AMEN1LMNAUSP2 | |
| SCHEMBL28082527 | 0.89 | MAPT (0.73) | MAPTKMT2AMEN1LMNAUSP2 |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10130590-B2 | Methods of treating cancer with atovaquone-related compounds | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-11-20 | — | — | US | claimed |
| EP-2213646-A1 | Novel crystalline forms of atovaquone | Hetero Drugs Limited (IN) | 2010-08-04 | — | — | EP | claimed |
| US-20100152302-A1 | NOVEL CRYSTALLINE FORMS OF ATOVAQUONE | HETERO DRUGS LIMITED (IN) | 2010-06-17 | — | — | US | claimed |
| EP-2160376-A2 | NOVEL CRYSTALLINE FORMS OF ATOVAQUONE | Hetero Drugs Limited (IN) | 2010-03-10 | — | — | EP | claimed |
| WO-2009001367-A2 | NOVEL CRYSTALLINE FORMS OF ATOVAQUONE | HETERO DRUGS LIMITED (IN) | 2008-12-31 | — | — | WO | claimed |
| US-10130590-B2 | Methods of treating cancer with atovaquone-related compounds | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-11-20 | — | — | US | disclosed |
| US-20160296480-A1 | Methods of Treating Cancer with Atovaquone-Related Compounds | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-10-13 | — | — | US | disclosed |
| WO-2015050844-A1 | METHODS OF TREATING CANCER WITH ATOVAQUONE-RELATED COMPOUNDS | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2015-04-09 | — | — | WO | disclosed |
| US-8394813-B2 | Active agent delivery systems and methods for protecting and administering active agents | SHIRE LLC (US) | 2013-03-12 | — | — | US | disclosed |
| WO-2012153162-A1 | NOVEL METHOD FOR PREPARATION OF ATOVAQUONE | LUPIN LIMITED (IN) | 2012-11-15 | — | — | WO | disclosed |
| WO-2012153162-A1 | NOVEL METHOD FOR PREPARATION OF ATOVAQUONE | LUPIN LIMITED (IN) | 2012-11-15 | — | — | WO | disclosed |
| EP-2160376-B1 | NOVEL CRYSTALLINE FORMS OF ATOVAQUONE | HETERO DRUGS LTD (IN) | 2012-09-12 | — | — | EP | 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 |
| US-7427600-B2 | Active agent delivery systems and methods for protecting and administering active agents | SHIRE LLC (US) | 2008-09-23 | — | — | US | disclosed |
| US-20070232529-A1 | mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage | NEW RIVER PHARMACEUTICALS INC. (US) | 2007-10-04 | — | — | US | disclosed |
| EP-0362996-B1 | Naphthoquinones for the treatment and prophylaxis of pneumocystis carinii infections | WELLCOME FOUND (GB) | 1994-04-27 | — | — | EP | disclosed |
| EP-0580185-A1 | Medicaments | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-01-26 | — | — | EP | disclosed |
| US-5225184-A | Medicaments | BURROUGHS WELLCOME CO. (US) | 1993-07-06 | — | — | US | disclosed |
| US-4981874-A | PREVENTING PNEUMOXYSTIS PNEUMONIA IN AIDS PATIENTS | LATTER VICTORIA S (GB) | 1991-01-01 | — | — | US | disclosed |
| EP-0362996-A2 | Naphthoquinones for the treatment and prophylaxis of pneumocystis carinii infections | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-04-11 | — | — | EP | 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-20100152302-A1 | NOVEL CRYSTALLINE FORMS OF ATOVAQUONE | RECQL, CYP2F1, CYP3A5 | MAPT 1357/4885KMT2A 2693/4885MEN1 2529/4885 |
| US-20160296480-A1 | Methods of Treating Cancer with Atovaquone-Related Compounds | MTOR, SDHA, RPTOR | MAPT 3964/4885KMT2A 2091/4885MEN1 2920/4885 |
| US-10130590-B2 | Methods of treating cancer with atovaquone-related compounds | MTOR, SDHA, RPTOR | MAPT 3964/4885KMT2A 2091/4885MEN1 2920/4885 |
| US-20070232529-A1 | mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage | VIP, BST2, FCGR3B | MAPT 3860/4885KMT2A 2299/4885MEN1 1156/4885 |
“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.