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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.42 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Citric Acid SCHEMBL28003552 | 0.74 | CA4 (0.53) | MAPK1HIF1ALMNAF2CA2 | |
| SCHEMBL3219620 | 0.74 | CA4 (0.44) | CA4 | |
| SCHEMBL2071064 | 0.74 | TDP1 (0.47) | MAPK1HIF1ALMNAF2CYP1A2 | |
| SCHEMBL28501746 | 0.73 | LMNA (0.50) | MAPK1HIF1ALMNAF2CA2 | |
| SCHEMBL1289443 | 0.72 | TDP1 (0.46) | MAPK1HIF1ALMNAF2CYP1A2 | |
| SCHEMBL28075408 | 0.72 | TDP1 (0.46) | MAPK1HIF1ALMNAF2CYP1A2 | |
| SCHEMBL8442297 | 0.72 | CA4 (0.46) | CA4 | |
| Hydrochloric Acid SCHEMBL18584396 | 0.71 | TDP1 (0.44) | MAPK1HIF1ALMNAF2CYP1A2 | |
| SCHEMBL15253427 | 0.70 | CYP2D6 (0.55) | MAPK1HIF1ALMNAF2CYP1A2 | |
| SCHEMBL28706308 | 0.69 | LMNA (0.61) | MAPK1HIF1ALMNAF2CA2 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8911712-B2 | Multi-purposed dentifrice | CHURCH & DWIGHT, CO., INC. (US) | 2014-12-16 | — | — | US | disclosed |
| US-20130189201-A1 | MULTI-PURPOSED DENTIFRICE | CHURCH & DWIGHT CO., INC. (US) | 2013-07-25 | — | — | US | disclosed |
| WO-2012047781-A1 | MULTI-PURPOSED DENTIFRICE | CHURCH & DWIGHT CO., INC. (US) | 2012-04-12 | — | — | WO | disclosed |
| EP-0845976-B1 | REMINERALIZING PRODUCTS AND METHODS FOR TEETH | CHURCH & DWIGHT CO INC (US) | 2004-03-24 | — | — | EP | disclosed |
| EP-0850042-A4 | COMPOSITION AND METHOD FOR REMINERALIZATION OF TEETH | ENAMELON INC (US) | 2000-01-05 | — | — | EP | disclosed |
| EP-0845976-A4 | REMINERALIZING PRODUCTS AND METHODS FOR TEETH | ENAMELON INC (US) | 1999-11-24 | — | — | EP | disclosed |
| US-5958380-A | MIXTURE OF CATIONIC AND ANIONIC WATER SOLUBLE COMPOUNDS AND STABILIZER | ENAMELON, INC. (US) | 1999-09-28 | — | — | US | disclosed |
| US-5866102-A | CONTAINING CALCIUM AND PHOSPHATE COMPOUNDS | ENAMELON, INC. (US) | 1999-02-02 | — | — | US | disclosed |
| EP-0850042-A1 | COMPOSITION AND METHOD FOR REMINERALIZATION OF TEETH | Enamelon, Inc. (US) | 1998-07-01 | — | — | EP | disclosed |
| EP-0845976-A1 | REMINERALIZING PRODUCTS AND METHODS FOR TEETH | Enamelon, Inc. (US) | 1998-06-10 | — | — | EP | disclosed |
| US-5645853-A | CALCIUM PHOSPHATE | ENAMELON INC. (US) | 1997-07-08 | — | — | US | disclosed |
| US-5614175-A | CALCIUM AND PHOSPHATE SALTS | ENAMELON INC. (US) | 1997-03-25 | — | — | US | disclosed |
| WO-1997006774-A1 | REMINERALIZING PRODUCTS AND METHODS FOR TEETH | ENAMELON, INC. (US) | 1997-02-27 | — | — | WO | disclosed |
| WO-1997005854-A1 | COMPOSITION AND METHOD FOR REMINERALIZATION OF TEETH | ENAMELON, INC. (US) | 1997-02-20 | — | — | WO | disclosed |
| US-5571502-A | WATER SOLUBILITY CALCIUM SALT, PHOSPHATE SALTS WITH NONAQUEOUS VEHICLES | ENAMELON RESEARCH (US) | 1996-11-05 | — | — | US | disclosed |