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.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | PPARG | P37231 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | PAM | P19021 | 1/20 | 0.43 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29067117 | 0.96 | IDO1 (0.52) | IDO1PPARGLMNANFE2L2PAM | |
| SCHEMBL27567741 | 0.96 | IDO1 (0.52) | IDO1PPARGLMNANFE2L2PAM | |
| Water SCHEMBL28463167 | 0.95 | IDO1 (0.50) | IDO1PPARGLMNANFE2L2PAM | |
| SCHEMBL11355618 | 0.83 | IDO1 (0.57) | IDO1PPARGLMNANFE2L2PAM | |
| SCHEMBL11285547 | 0.83 | IDO1 (0.57) | IDO1PPARGLMNANFE2L2PAM | |
| SCHEMBL778798 | 0.80 | IDO1 (0.53) | IDO1PPARGLMNANFE2L2PAM | |
| SCHEMBL1169877 | 0.80 | IDO1 (0.53) | IDO1PPARGLMNANFE2L2PAM | |
| SCHEMBL27582231 | 0.80 | IDO1 (0.53) | IDO1PPARGLMNANFE2L2PAM | |
| SCHEMBL14955146 | 0.80 | IDO1 (0.53) | IDO1PPARGLMNANFE2L2PAM | |
| SCHEMBL27849267 | 0.80 | IDO1 (0.53) | IDO1PPARGLMNANFE2L2PAM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119112681-B | Dentin-sensitivity-resistant toothpaste, preparation method thereof and dentin-sensitivity-resistant method | 杭州纳美智康科技有限公司 | 2025-03-11 | — | — | CN | disclosed |
| CN-119112681-A | Dentin-sensitivity-resistant toothpaste, preparation method thereof and dentin-sensitivity-resistant method | 杭州纳美智康科技有限公司 | 2024-12-13 | — | — | CN | disclosed |