Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.40 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.40 |
| ▸ | LPL | P06858 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12350692 | 0.84 | NAMPT (0.37) | NAMPTKDM4EMAPTNPC1RAB9A | |
| SCHEMBL3264202 | 0.83 | GAA (0.56) | CA1CA2CA9MAPTNPC1 | |
| SCHEMBL1851971 | 0.83 | MAP4K4 (0.43) | CA1CA2CA9KDM4ERAB9A | |
| SCHEMBL18343188 | 0.82 | ALDH1A1 (0.47) | CA1CA2CA9KDM4EMAPT | |
| SCHEMBL28663994 | 0.81 | SMN1; SMN2 (0.50) | CA1CA2CA9KDM4EMAPT | |
| SCHEMBL17078435 | 0.80 | PTPRC (0.50) | L3MBTL1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL2236402 | 0.80 | LMNA (0.50) | CA1CA2CA9MAPTSMN1; SMN2 | |
| SCHEMBL19801178 | 0.79 | CA1 (0.39) | CA1CA2CA9LIPGAAK1 | |
| SCHEMBL16150246 | 0.79 | HSD17B10 (0.52) | CA1CA2CA9KDM4EHSD17B10 | |
| SCHEMBL2357751 | 0.79 | ALDH1A1 (0.54) | KDM4EMAPTNPC1RAB9ASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011101640-A1 | FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA | MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) | 2011-08-25 | — | — | WO | disclosed |