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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA known ✓ | P10827 | 4/20 | 0.49 |
| ▸ | THRB known ✓ | P10828 | 4/20 | 0.49 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 12/20 | 0.49 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.41 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6279313 | 0.90 | THRA (0.52) | PTGER1THRATHRBPTGER4PTGER3 | |
| SCHEMBL6273400 | 0.89 | THRA (0.51) | PTGER1THRATHRBPTGER4PTGER3 | |
| SCHEMBL6273976 | 0.87 | THRA (0.49) | THRATHRBESR1NR3C1PGR | |
| SCHEMBL6275606 | 0.82 | THRA (0.56) | THRATHRBESR1NR3C1PGR | |
| SCHEMBL6275582 | 0.80 | THRA (0.47) | PTGER1THRATHRBPTGER4PTGER3 | |
| SCHEMBL6275841 | 0.80 | NR4A2 (0.55) | THRATHRBPTGER4PTGER2ESR1 | |
| SCHEMBL6275455 | 0.80 | THRA (0.57) | THRATHRBNR1H4ESR1NR3C1 | |
| SCHEMBL3120118 | 0.79 | PTGER2 (0.49) | THRATHRBPTGER4PTGER2 | |
| SCHEMBL6275567 | 0.78 | MAOA (0.44) | THRATHRBNR1H4 | |
| SCHEMBL6274199 | 0.78 | NR4A2 (0.41) | THRATHRBPTGER4PTGER2NR1H4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005116010-A1 | EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF | MERCK FROSST CANADA LTD. (CA) | 2005-12-08 | — | — | WO | claimed |
| WO-2005116010-A1 | EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF | MERCK FROSST CANADA LTD. (CA) | 2005-12-08 | — | — | WO | disclosed |