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 SCHEMBL1542719 | 1.00 | MAPT (0.82) | MAPTKMT2AMEN1LMNAUSP2 | |
| Atovaquone SCHEMBL9975142 | 1.00 | MAPT (0.82) | MAPTKMT2AMEN1LMNAUSP2 | |
| Atovaquone SCHEMBL29559044 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0794776-A2 | USE OF RIFABUTIN AND A COMBINATION OF RIFABUTIN AND ATOVAQUONE IN THE TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-09-17 | — | — | EP | disclosed |
| WO-1996016652-A2 | USE OF RIFABUTIN AND A COMBINATION OF RIFABUTIN AND ATOVAQUONE IN THE TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-06-06 | — | — | WO | disclosed |