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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 known ✓ | P31644 | 2/20 | 0.36 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.36 |
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.36 |
| ▸ | GABRA4 known ✓ | P48169 | 1/20 | 0.36 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 1/20 | 0.48 |
| ▸ | FAP | Q12884 | 1/20 | 0.48 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.48 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.36 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.36 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.36 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL852073 | 0.81 | KCNH2 (0.53) | KCNH2DPP4FAPDPP8DPP9 | |
| SCHEMBL15084807 | 0.79 | KCNH2 (0.52) | KCNH2DPP4FAPDPP8DPP9 | |
| SCHEMBL14000057 | 0.79 | KCNH2 (0.52) | KCNH2DPP4FAPDPP8DPP9 | |
| SCHEMBL3640222 | 0.79 | KCNH2 (0.52) | KCNH2DPP4FAPDPP8DPP9 | |
| SCHEMBL11152918 | 0.79 | KCNH2 (0.57) | KCNH2DPP4FAPDPP8DPP9 | |
| SCHEMBL4017764 | 0.75 | DPP4 (0.52) | KCNH2DPP4FAPDPP8DPP9 | |
| SCHEMBL22214065 | 0.75 | KCNH2 (0.52) | KCNH2DPP4FAPDPP8DPP9 | |
| SCHEMBL16439950 | 0.74 | CA4 (0.43) | DPP4FAPDPP8DPP9EPHX1 | |
| SCHEMBL27957690 | 0.74 | KCNH2 (0.59) | KCNH2DPP4FAPDPP8DPP9 | |
| SCHEMBL8286515 | 0.73 | DPP4 (0.60) | KCNH2DPP4FAPDPP8DPP9 |
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-2173709-A2 | METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS | Phenomix Corporation (US) | 2010-04-14 | — | — | EP | disclosed |
| WO-2008109681-A2 | METHODS AND INTERMEDIATES FOR SYNTHESIS OF SELECTIVE DPP-IV INHIBITORS | PHENOMIX CORPORATION (US) | 2008-09-12 | — | — | WO | disclosed |