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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 9/20 | 0.39 |
| ▸ | CA1 known ✓ | P00915 | 6/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6129344 | 0.77 | RECQL (0.39) | CA2CA1MAPK1NR1I2RECQL | |
| SCHEMBL1341341 | 0.77 | RECQL (0.39) | CA2CA1MAPK1NR1I2RECQL | |
| SCHEMBL1270093 | 0.77 | RECQL (0.39) | CA2CA1MAPK1NR1I2RECQL | |
| SCHEMBL9325236 | 0.68 | RECQL (0.42) | CA2CA1CA7CA14MAPK1 | |
| SCHEMBL17746174 | 0.66 | PRKCA (0.35) | CA2CA7CA14TSHRMEN1 | |
| SCHEMBL17748986 | 0.66 | PRKCA (0.35) | CA2CA7CA14TSHRMEN1 | |
| SCHEMBL10510140 | 0.64 | NR1I2 (0.50) | CA2CA1CA7CA14MAPK1 | |
| 2-Ethylhexanoic Acid SCHEMBL56210 | 0.59 | CA2 (1.00) | CA2CA1MAPK1TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL9147740 | 0.59 | CA2 (1.00) | CA2CA1MAPK1TSHR | |
| 2-Ethylhexanoic Acid SCHEMBL7553149 | 0.59 | CA2 (0.91) | CA2CA1CA7CA14MAPK1 |
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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0793478-A4 | ORAL COMPOSITIONS | PROCTER & GAMBLE (US) | 2005-10-12 | — | — | EP | disclosed |
| EP-0801555-B1 | ORAL COMPOSITIONS CONTAINING DIMETHICONE COPOLYOLS | PROCTER & GAMBLE (US) | 2004-11-03 | — | — | EP | disclosed |
| EP-0863742-B1 | GRANULAR POWDERS CONTAINING SILICONE OIL | PROCTER & GAMBLE (US) | 2003-10-08 | — | — | EP | disclosed |
| US-20030099603-A1 | Polybutene containing denture cleanser compositions | RAJAIAH JAYANTH (US) | 2003-05-29 | — | — | US | disclosed |
| US-6491896-B1 | ANTICARIES PARTICLES OR TABLETS COMPRISING ADDITION POLYMERS, BLEACHES AND EFFERVESCENCE GENERATORS | THE PROCTOR & GAMBLE COMPANY | 2002-12-10 | — | — | US | disclosed |
| WO-2002074263-A2 | POLYBUTENE CONTAINING DENTURE CLEANSER COMPOSITIONS | THE PROCTER & GAMBLE COMPANY (US) | 2002-09-26 | — | — | WO | disclosed |
| US-6294154-B1 | PROLONGED, RESIDUAL ANTIMICROBIAL AND/OR FLAVOR IMPACT EFFECT. TOOTHPASTE, POWDER, LIQUID DENTIFRICE, MOUTHWASH, DENTURE CLEANSER, CHEWING GUM OR CANDY | PROCTER AND GAMBLE COMPANY | 2001-09-25 | — | — | US | disclosed |
| US-6153567-A | CLEANING COMPOUNDS; DENTURES | THE PROCTER & GAMBLE COMPANY (US) | 2000-11-28 | — | — | US | disclosed |
| US-6129906-A | Silicone containing powders | THE PROCTER & GAMBLE COMPANY (US) | 2000-10-10 | — | — | US | disclosed |
| US-6123950-A | A TRIMETHYLSILANOL END CAPPED POLYSILOXANE COPOLYMER WITH POLYETHER BASED ON FLAVORANTS, PERFUMES, COOLANTS OR ANTIMICROBIAL AGENTS AS LIPOPHILE AND DISPLAY IMPROVED RESIDUALITY, IMPACT/EFFICIENCY ON SURFACES TREATED THEREWITH | THE PROCTER & GAMBLE COMPANY (US) | 2000-09-26 | — | — | US | disclosed |
| US-4686062-A | ALUMINOSILICATE AND CARBOXYLATE POLYMER | THE PROCTER & GAMBLE COMPANY (US) | 1987-08-11 | — | — | US | disclosed |
| US-4681695-A | SPRAY DRIED ACTIVATOR | THE PROCTER & GAMBLE COMPANY (US) | 1987-07-21 | — | — | US | disclosed |
| US-4663071-A | TARTRATE MONO AND DISUCCINATES | THE PROCTER & GAMBLE COMPANY (US) | 1987-05-05 | — | — | US | disclosed |
| US-4654159-A | SEQUESTERING, LAUNDERING, EPOXYSUCCINATE, CALCIUM COMPOUND | THE PROCTER & GAMBLE COMPANY (US) | 1987-03-31 | — | — | US | disclosed |
| EP-0193360-A2 | Detergent compositions | THE PROCTER & GAMBLE COMPANY (US) | 1986-09-03 | — | — | EP | disclosed |
| EP-0192442-A2 | Detergency builder system | THE PROCTER & GAMBLE COMPANY (US) | 1986-08-27 | — | — | EP | disclosed |
| EP-0192441-A2 | Detergency builder system | THE PROCTER & GAMBLE COMPANY (US) | 1986-08-27 | — | — | EP | disclosed |
| EP-0181180-A2 | Detergent compositions | THE PROCTER & GAMBLE COMPANY (US) | 1986-05-14 | — | — | EP | disclosed |
| EP-0174132-A2 | Bleach activator compositions manufacture and use thereof in laundry compositions | THE PROCTER & GAMBLE COMPANY (US) | 1986-03-12 | — | — | EP | disclosed |
| EP-0137669-A1 | Detergent compositions | THE PROCTER & GAMBLE COMPANY (US) | 1985-04-17 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030099603-A1 | Polybutene containing denture cleanser compositions | TAS2R8, TAS2R40, TAS2R42 | CA2 1645/4885CA1 3403/4885CA7 3642/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.