Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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.
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 | |
|---|---|---|---|---|
| SCHEMBL8426280 | 0.91 | — | — | |
| Potassium Ion SCHEMBL80042 | 0.91 | CA4 (0.46) | — | |
| SCHEMBL30278632 | 0.91 | CA4 (0.36) | — | |
| SCHEMBL668786 | 0.91 | CA4 (0.46) | — | |
| Fluoride SCHEMBL28155078 | 0.87 | CA4 (0.43) | — | |
| Water SCHEMBL27526564 | 0.87 | CA4 (0.43) | — | |
| SCHEMBL27670637 | 0.81 | CA4 (0.38) | — | |
| SCHEMBL8430214 | 0.75 | CA1 (0.31) | — | |
| SCHEMBL1706124 | 0.73 | — | — | |
| SCHEMBL1578833 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6116900-A | Binary energizer and peroxide delivery system for dental bleaching | LUMACHEM, INC. (US) | 2000-09-12 | — | — | US | claimed |
| US-5645428-A | Method for whitening teeth | BRITESMILE, INC. (US) | 1997-07-08 | — | — | US | claimed |
| US-20230096739-A1 | DENTAL TREATMENT DEVICE CONFIGURED TO TREAT A PLURALITY OF TEETH OF A HUMAN PATIENT WHILE MINIMIZING DISCOMFORT FOR THE HUMAN PATIENT | BURTON MATTHEW (US) | 2023-03-30 | — | — | US | disclosed |
| US-6287120-B1 | Methods and apparatus for treating teeth | THE PROCTER & GAMBLE COMPANY | 2001-09-11 | — | — | US | disclosed |
| WO-2001026577-A1 | METHODS AND APPARATUS FOR TREATING TEETH | WIESEL PETER E (US) | 2001-04-19 | — | — | WO | disclosed |
| US-6155832-A | Methods and apparatus for whitening teeth | THE PROCTER & GAMBLE COMPANY | 2000-12-05 | — | — | US | disclosed |
| US-6149895-A | Dental bleaching compositions, kits & methods | KREATIV, INC (US) | 2000-11-21 | — | — | US | disclosed |
| US-6116900-A | Binary energizer and peroxide delivery system for dental bleaching | LUMACHEM, INC. (US) | 2000-09-12 | — | — | US | disclosed |
| US-6106293-A | Methods for whitening teeth | THE PROCTER & GAMBLE COMPANY | 2000-08-22 | — | — | US | disclosed |
| US-5645428-A | Method for whitening teeth | BRITESMILE, INC. (US) | 1997-07-08 | — | — | US | disclosed |