Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 7/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8470183 | 0.90 | AKR1C3 (0.54) | AKR1C3NR4A2KMT2AFOLH1PRSS1 | |
| SCHEMBL14672405 | 0.83 | PLA2G4B (0.59) | KMT2ASMN1; SMN2 | |
| SCHEMBL9764089 | 0.83 | KMT2A (0.56) | AKR1C3KMT2ASMN1; SMN2 | |
| SCHEMBL28473957 | 0.80 | EGFR (0.55) | KMT2AKDM4EPRSS1PRSS2PRSS3 | |
| SCHEMBL11557990 | 0.79 | KMT2A (0.62) | AKR1C3NR4A2KMT2ANPC1RAB9A | |
| SCHEMBL25527238 | 0.79 | FOLH1 (0.54) | AKR1C3NR4A2KMT2AFOLH1KMO | |
| SCHEMBL9764086 | 0.79 | KMT2A (0.51) | KMT2ASMN1; SMN2 | |
| 3-Hydroxybenzoic Acid SCHEMBL8470182 | 0.77 | CA12 (0.67) | FOLH1KDM4EKMOMRGPRX4 | |
| 3-Hydroxybenzoic Acid SCHEMBL8470184 | 0.77 | CA12 (0.67) | FOLH1KDM4EKMOMRGPRX4 | |
| Zinc Ion SCHEMBL21270027 | 0.77 | EGFR (0.55) | KMT2AKDM4EPRSS1PRSS2PRSS3 |
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-1999007748-A1 | POLYMER PURIFICATION PROCESSES | CIBA SPECIALTY CHEMICALS WATER TREAMENTS LIMITED (GB) | 1999-02-18 | — | — | WO | disclosed |