Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 3/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 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 | |
|---|---|---|---|---|
| SCHEMBL8377366 | 0.87 | PDK2 (0.46) | PDK2BCHECNR2SCN9AKDM4E | |
| SCHEMBL8377376 | 0.86 | PDK2 (0.46) | PDK2BCHECNR2KDM4EALDH1A1 | |
| SCHEMBL8377397 | 0.85 | HSD17B10 (0.58) | PDK2KDM4EALDH1A1HPGDRAB9A | |
| SCHEMBL8380157 | 0.84 | PDK2 (0.48) | PDK2BCHECNR2SCN9AKDM4E | |
| SCHEMBL8374999 | 0.84 | PDK2 (0.44) | PDK2SCN9AKDM4EALDH1A1HPGD | |
| SCHEMBL8378941 | 0.83 | GABRA5 (0.46) | PDK2BCHECNR2RAB9ACA12 | |
| SCHEMBL8375557 | 0.81 | BCHE (0.47) | PDK2BCHECNR2CA12CA1 | |
| SCHEMBL8376833 | 0.81 | LMNA (0.43) | PDK2BCHECNR2SCN9AKDM4E | |
| SCHEMBL8380153 | 0.79 | ACKR3 (0.44) | PDK2SCN9ACA12CA1CA2 | |
| SCHEMBL8380096 | 0.79 | TP53 (0.57) | KDM4EALDH1A1HPGDRAB9ACYP1A2 |
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 |