Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | DHODH | Q02127 | 4/20 | 0.50 |
| ▸ | FABP3 | P05413 | 1/20 | 0.49 |
| ▸ | FABP4 | P15090 | 1/20 | 0.49 |
| ▸ | MPO | P05164 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | LTC4S | Q16873 | 1/20 | 0.46 |
| ▸ | P2RY4 | P51582 | 1/20 | 0.46 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | RBP4 | P02753 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19980681 | 0.83 | KEAP1 (0.60) | KEAP1KCNK2ALDH1A1GAAMAPT | |
| SCHEMBL7836703 | 0.82 | PTPN1 (0.65) | KEAP1KCNK2ALDH1A1GAAMAPT | |
| SCHEMBL252578 | 0.82 | KDM4E (0.65) | KEAP1KCNK2ALDH1A1GAAMAPT | |
| Hydrochloric Acid SCHEMBL28049713 | 0.81 | KEAP1 (0.58) | KEAP1KCNK2ALDH1A1GAAMAPT | |
| Hydrochloric Acid SCHEMBL30266008 | 0.81 | KEAP1 (0.58) | KEAP1KCNK2ALDH1A1GAAMAPT | |
| SCHEMBL28253565 | 0.81 | KMT2A (0.57) | ALDH1A1MAPTLTC4SPTPN1HTT | |
| Hydrochloric Acid SCHEMBL11608037 | 0.81 | KEAP1 (0.58) | KEAP1KCNK2ALDH1A1GAAMAPT | |
| SCHEMBL9000255 | 0.81 | FABP3 (0.61) | KEAP1KCNK2ALDH1A1GAAMAPT | |
| SCHEMBL7540135 | 0.80 | LTC4S (0.51) | ALDH1A1GAAMAPTLTC4SPTPN1 | |
| SCHEMBL30343207 | 0.79 | KIF11 (0.65) | ALDH1A1MAPTNPC1HTTRAB9A |
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-2002039987-A2 | USE OF MALARIA PARASITE ANION CHANNEL BLOCKERS FOR TREATING MALARIA | NEUROSEARCH A/S (DK) | 2002-05-23 | — | — | WO | disclosed |