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 | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.39 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.38 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.36 |
| ▸ | PDK2 known ✓ | Q15119 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 8/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL11562101 | 0.97 | RAB9A (0.46) | RAB9AGRM1CYP11B2PTGS2GRM5 | |
| SCHEMBL11560097 | 0.89 | SMN1; SMN2 (0.45) | RAB9AGRM1CYP11B2PTGS2GRM5 | |
| SCHEMBL11562309 | 0.86 | RAB9A (0.48) | RAB9AGRM1CYP11B2GRM5NPC1 | |
| Ammonia Solution, Strong SCHEMBL11559116 | 0.84 | RAB9A (0.47) | RAB9AGRM1CYP11B2GRM5NPC1 | |
| Potassium Ion SCHEMBL11564252 | 0.80 | NPC1 (0.42) | RAB9ACA1CA2NPC1 | |
| SCHEMBL11563739 | 0.80 | GABRA2 (0.51) | RAB9APTGS2CA1CA2NPC1 | |
| SCHEMBL14516990 | 0.75 | RAB9A (0.51) | RAB9AGRM1CYP11B2PTGS2GRM5 | |
| SCHEMBL13985485 | 0.75 | RAB9A (0.51) | RAB9AGRM1CYP11B2PTGS2GRM5 | |
| SCHEMBL11565008 | 0.74 | SMN1; SMN2 (0.47) | RAB9AGRM1CYP11B2GRM5NPC1 | |
| SCHEMBL11564209 | 0.72 | HTT (0.46) | CA1GAASMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4147528-A | 6-Oxopyrimidine plant growth regulators | ROHM AND HAAS COMPANY (US) | 1979-04-03 | — | — | US | disclosed |