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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4873251 | 0.81 | ALDH1A1 (0.67) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL30002927 | 0.81 | ALDH1A1 (0.67) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL14009913 | 0.81 | ALDH1A1 (0.67) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL2586949 | 0.80 | ALDH1A1 (0.65) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL31325495 | 0.77 | HSD17B10 (0.78) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| Water SCHEMBL28171616 | 0.76 | L3MBTL1 (0.64) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| Water SCHEMBL31425697 | 0.76 | L3MBTL1 (0.64) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL7080895 | 0.75 | ALDH1A1 (0.62) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL13751115 | 0.74 | ALDH1A1 (0.72) | ALDH1A1MAPK1HSD17B10NPSR1NOD1 | |
| SCHEMBL28050241 | 0.74 | RAB9A (0.68) | ALDH1A1MAPK1HSD17B10NPSR1CYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130123135-A1 | Methods To Identify Modulators of TAS2R48 Receptors | GIVAUDAN SA (CH) | 2013-05-16 | — | — | US | disclosed |
| US-20130115624-A1 | Methods To Identify Modulators | GIVAUDAN S.A. (CH) | 2013-05-09 | — | — | US | disclosed |
| EP-2567229-A1 | METHODS TO IDENTIFY MODULATORS | Givaudan SA (CH) | 2013-03-13 | — | — | EP | disclosed |
| US-8383183-B2 | Sweetness enhancers, sweetness enhanced sweetener compositions, methods for their formulation, and uses | THE COCA-COLA COMPANY (US) | 2013-02-26 | — | — | US | disclosed |
| US-20110318464-A1 | SWEETNESS ENHANCERS, SWEETNESS ENHANCED SWEETENER COMPOSITIONS, METHODS FOR THEIR FORMULATION, AND USES | THE COCA-COLA COMPANY (US) | 2011-12-29 | — | — | US | disclosed |
| WO-2011138455-A1 | METHODS TO IDENTIFY MODULATORS | GIVAUDAN SA (CH) | 2011-11-10 | — | — | WO | disclosed |