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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 5/20 | 0.40 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.38 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.38 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.38 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 13/20 | 0.42 |
| ▸ | MAPT | P10636 | 13/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 13/20 | 0.42 |
| ▸ | HTT | P42858 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | GPR55 | Q9Y2T6 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 6/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 7/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4564929 | 1.00 | MEN1 (0.42) | MEN1MAPTKMT2AHTTALDH1A1 | |
| SCHEMBL4564927 | 0.89 | MAPT (0.42) | MEN1MAPTKMT2AHTTALDH1A1 | |
| SCHEMBL13707089 | 0.82 | HTT (0.41) | MEN1MAPTKMT2AHTTALDH1A1 | |
| SCHEMBL13172531 | 0.80 | MEN1 (0.46) | MEN1MAPTKMT2AHTTALDH1A1 | |
| SCHEMBL12901136 | 0.79 | MAPT (0.60) | MEN1MAPTKMT2AHTTALDH1A1 | |
| SCHEMBL4505264 | 0.78 | HPGD (0.58) | MEN1MAPTKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL4505272 | 0.78 | HPGD (0.58) | MEN1MAPTKMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL14258993 | 0.74 | MEN1 (0.39) | MEN1MAPTKMT2AHTTALDH1A1 | |
| SCHEMBL13193960 | 0.72 | MAPT (0.55) | MEN1MAPTKMT2AHTTALDH1A1 | |
| SCHEMBL22848432 | 0.72 | MAPT (0.70) | MEN1MAPTKMT2AHTTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7592188-B2 | environmentally sensitive fluorescent dye covalently linked to a binding domain which has specific affinity for a target molecule; fluorescence resonance energy transfer; detecting changes in the binding, conformational change; detecting human immunodeficiency virus | THE SCRIPPS RESEARCH INSTITUTE (US) | 2009-09-22 | — | — | US | disclosed |
| US-20060029946-A1 | Live cell biosensors | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2006-02-09 | — | — | US | disclosed |