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 | 2/20 | 0.41 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.41 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.41 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.41 |
| ▸ | KAT8 | Q9H7Z6 | 3/20 | 0.51 |
| ▸ | PPARA | Q07869 | 1/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7925730 | 1.00 | KAT8 (0.51) | KAT8PPARAGPR84BCHEESR1 | |
| SCHEMBL536515 | 1.00 | KAT8 (0.51) | KAT8PPARAGPR84BCHEESR1 | |
| SCHEMBL30206997 | 1.00 | KAT8 (0.51) | KAT8PPARAGPR84BCHEESR1 | |
| Lithium Ion SCHEMBL7919579 | 0.97 | KAT8 (0.51) | KAT8PPARAGPR84BCHEESR1 | |
| Potassium Ion SCHEMBL7928665 | 0.97 | KAT8 (0.51) | KAT8PPARAGPR84BCHEESR1 | |
| SCHEMBL7925126 | 0.95 | KAT8 (0.44) | KAT8PPARAGPR84BCHEHSD17B10 | |
| SCHEMBL28047618 | 0.91 | KAT8 (0.44) | KAT8PPARAGPR84HSD17B10TP53 | |
| SCHEMBL30624 | 0.87 | KAT8 (0.57) | KAT8PPARABCHEESR1ADRA2A | |
| SCHEMBL29634826 | 0.87 | KAT8 (0.57) | KAT8PPARABCHEESR1ADRA2A | |
| SCHEMBL2005845 | 0.86 | KAT8 (0.56) | KAT8PPARABCHEESR1ADRA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0797605-B1 | METHODS AND COMPOSITIONS FOR PREPARING RIGID FOAMS WITH NON-CHLOROFLUOROCARBON BLOWING AGENTS | STEPAN CO (US) | 2001-09-26 | — | — | EP | claimed |
| US-5157057-A | Improved set times | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1992-10-20 | — | — | US | disclosed |
| US-4101465-A | TO POLYISOCYANURATES, ALKALI METAL GLYCINE SALTS, QUATERNARY AMMONM CARBOXYLATES, ALKALI METAL SALTS OF AMIDES AND ACIDS | THE UPJOHN COMPANY (US) | 1978-07-18 | — | — | US | disclosed |