Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 3/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8377376 | 0.88 | PDK2 (0.46) | PDK2HPGDRAB9AKDM4EALDH1A1 | |
| SCHEMBL8377397 | 0.88 | HSD17B10 (0.58) | PDK2HPGDRAB9AKDM4EALDH1A1 | |
| SCHEMBL8375694 | 0.87 | NQO2 (0.44) | PDK2HPGDRAB9AKDM4EALDH1A1 | |
| SCHEMBL8380157 | 0.87 | PDK2 (0.48) | PDK2HPGDRAB9AKDM4EALDH1A1 | |
| SCHEMBL8378941 | 0.86 | GABRA5 (0.46) | PDK2RAB9ACA12CA1CA2 | |
| SCHEMBL8374999 | 0.85 | PDK2 (0.44) | PDK2HPGDRAB9AKDM4EALDH1A1 | |
| SCHEMBL8375557 | 0.84 | BCHE (0.47) | PDK2CA12CA1CA2CA9 | |
| SCHEMBL8375551 | 0.83 | HDAC1 (0.44) | RAB9AALDH1A1CA12CA1CA2 | |
| SCHEMBL8377508 | 0.82 | PDK2 (0.41) | PDK2HPGDKDM4EALDH1A1HSD17B10 | |
| SCHEMBL8380153 | 0.81 | ACKR3 (0.44) | PDK2CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-6005116-A | HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA | SANKYO COMPANY, LIMITED (JP) | 1999-12-21 | — | — | US | disclosed |
| EP-0885891-A1 | ISOXAZOLE DERIVATIVES | SANKYO COMPANY LIMITED (JP) | 1998-12-23 | — | — | EP | disclosed |