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 | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.34 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.34 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.34 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 8/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.34 |
| ▸ | MLNR | O43193 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.34 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 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 | |
|---|---|---|---|---|
| SCHEMBL4504323 | 0.93 | BLM (0.36) | BLMHRH2CHRM1CHRM3HRH3 | |
| SCHEMBL4504310 | 0.93 | BLM (0.36) | BLMHRH2CHRM1CHRM3HRH3 | |
| SCHEMBL4509656 | 0.87 | BLM (0.33) | BLMHRH2CHRM1CHRM3HRH3 | |
| SCHEMBL14259012 | 0.85 | PTPN1 (0.37) | HRH2CHRM1CHRM3HRH3MLNR | |
| SCHEMBL4504321 | 0.85 | PTPN1 (0.37) | HRH2CHRM1CHRM3HRH3MLNR | |
| SCHEMBL4505487 | 0.84 | BLM (0.33) | BLMHRH2CHRM1CHRM3HRH3 | |
| SCHEMBL4495896 | 0.82 | MAPT (0.34) | BLMHRH2CHRM1CHRM3HRH3 | |
| SCHEMBL4513094 | 0.80 | BLM (0.31) | BLM | |
| SCHEMBL4509672 | 0.80 | BLM (0.33) | BLMHRH2CHRM1CHRM3HRH3 | |
| SCHEMBL4509659 | 0.80 | BLM (0.33) | BLMHRH2CHRM1CHRM3HRH3 |
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 |