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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
| ▸ | ACACA | Q13085 | 1/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.32 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.32 |
| ▸ | WNT1 | P04628 | 3/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.31 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.31 |
| ▸ | CSF1R | P07333 | 1/20 | 0.30 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4416789 | 0.93 | ACACB (0.38) | GSK3BDYRK1AACACBACACAFGFR1 | |
| SCHEMBL4412902 | 0.91 | ACACB (0.41) | GSK3BDYRK1AACACBACACAFGFR1 | |
| SCHEMBL4424719 | 0.91 | CYP2D6 (0.32) | GSK3BDYRK1AWNT1BRD4SSTR5 | |
| SCHEMBL4423082 | 0.90 | IRAK4 (0.33) | GSK3BDYRK1AFGFR1FGFR3WNT1 | |
| SCHEMBL4418731 | 0.89 | GSK3B (0.32) | GSK3BDYRK1AWNT1BRD4SSTR5 | |
| SCHEMBL4423456 | 0.86 | S1PR1 (0.34) | GSK3BDYRK1AWNT1SSTR5CSF1R | |
| SCHEMBL4427891 | 0.85 | SSTR5 (0.37) | SSTR5CSF1RIRAK4 | |
| SCHEMBL4423563 | 0.85 | TTK (0.33) | GSK3BDYRK1AWNT1 | |
| SCHEMBL4787034 | 0.83 | ACACB (0.39) | ACACBACACA | |
| SCHEMBL2599528 | 0.83 | SSTR5 (0.39) | GSK3BDYRK1AWNT1SSTR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |