Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.47 |
| ▸ | VDR | P11473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL20740668 | 0.88 | DHFR (0.58) | DHFRMAPTHTTNPSR1KDM4E | |
| SCHEMBL20740674 | 0.81 | DHFR (0.56) | DHFRSLC2A1 | |
| SCHEMBL20740673 | 0.78 | DHFR (0.60) | DHFRMAPTKDM4EALDH1A1HPGD | |
| SCHEMBL20740676 | 0.77 | DHFR (0.48) | DHFRALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL20740678 | 0.76 | DHFR (0.52) | DHFRKDM4EALDH1A1HPGDSLC2A1 | |
| SCHEMBL8903440 | 0.76 | DHFR (0.55) | DHFRHSP90AA1SLC2A1MEN1KMT2A | |
| SCHEMBL3748663 | 0.74 | MAPT (0.59) | HSP90AA1MAPTHTTNPSR1KDM4E | |
| SCHEMBL7981719 | 0.73 | MAPT (0.62) | HSP90AA1MAPTHTTNPSR1KDM4E | |
| SCHEMBL19973714 | 0.73 | MAPT (0.62) | HSP90AA1MAPTHTTNPSR1KDM4E | |
| SCHEMBL7956581 | 0.73 | MAPT (0.62) | HSP90AA1MAPTHTTNPSR1KDM4E |
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-2194985-B1 | ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS | MEDICINES FOR MALARIA VENTURE MMV (CH) | 2019-02-20 | — | — | EP | claimed |
| EP-2194985-B1 | ANTIMALARIAL COMPOUNDS WITH FLEXIBLE SIDE-CHAINS | MEDICINES FOR MALARIA VENTURE MMV (CH) | 2019-02-20 | — | — | EP | disclosed |