Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
The experimentally established mechanism targets of Isoflavone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 5/20 | 0.54 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.50 |
| ▸ | MAOA known ✓ | P21397 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.61 |
| ▸ | NPC1 | O15118 | 6/20 | 0.61 |
| ▸ | RAB9A | P51151 | 6/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | MIF | P14174 | 1/20 | 0.60 |
| ▸ | STS | P08842 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 7/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | TP53 | P04637 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Isoflavone SCHEMBL31264756 | 0.92 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Isoflavone SCHEMBL8028 | 0.92 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Isoflavone SCHEMBL6290885 | 0.92 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Isoflavone SCHEMBL6542422 | 0.92 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Isoflavone SCHEMBL27523008 | 0.90 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Isoflavone SCHEMBL5846515 | 0.90 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Isoflavone SCHEMBL28300399 | 0.90 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Isoflavone SCHEMBL27524808 | 0.90 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Isoflavone SCHEMBL5854324 | 0.90 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| Isoflavone SCHEMBL5846511 | 0.90 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-109475522-A | Improve treatment of cancer | 讷克斯药物有限公司 | 2019-03-15 | — | — | CN | disclosed |