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 | |
|---|---|---|---|---|
| ▸ | PDK2 known ✓ | Q15119 | 1/20 | 0.42 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.38 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | RET | P07949 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL989978 | 0.98 | PDK2 (0.43) | PDK2DRD2CA12CA1CA2 | |
| SCHEMBL989847 | 0.98 | PDK2 (0.43) | PDK2DRD2CA12CA1CA2 | |
| SCHEMBL8029267 | 0.90 | PDK2 (0.45) | PDK2DRD2CA12CA1CA2 | |
| SCHEMBL991050 | 0.89 | PDK2 (0.44) | PDK2DRD2CA12CA1CA2 | |
| SCHEMBL989898 | 0.88 | PDK2 (0.39) | PDK2CYP3A4SLC6A9BDKRB1ALDH1A1 | |
| SCHEMBL989752 | 0.85 | CYP3A4 (0.37) | CYP3A4SLC6A9BDKRB1ALDH1A1 | |
| SCHEMBL989604 | 0.85 | CYP3A4 (0.40) | CYP3A4SLC6A9BDKRB1ALDH1A1 | |
| SCHEMBL991099 | 0.85 | DRD2 (0.41) | PDK2DRD2IDO1ALDH1A1LMNA | |
| SCHEMBL8027887 | 0.85 | PDK2 (0.46) | PDK2CA12CA1CA2CA9 | |
| SCHEMBL988386 | 0.85 | RAB9A (0.37) | CYP3A4SLC6A9BDKRB1ALDH1A1 |
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-2271625-A2 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | Abbott GmbH & Co. KG (DE) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009121872-A2 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBOTT GMBH & CO. KG (DE) | 2009-10-08 | — | — | WO | disclosed |