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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR known ✓ | P04035 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 4/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| Zinc Ion SCHEMBL28590497 | 0.92 | ALDH1A1 (0.41) | ALDH1A1TSHRCA1CA4HMGCR | |
| Potassium Ion SCHEMBL31366014 | 0.92 | — | — | |
| SCHEMBL6859549 | 0.92 | ALDH1A1 (0.41) | ALDH1A1TSHRCA1CA4HMGCR | |
| SCHEMBL28984322 | 0.92 | ALDH1A1 (0.41) | ALDH1A1TSHRCA1CA4HMGCR | |
| SCHEMBL3860699 | 0.85 | ALDH1A1 (0.50) | ALDH1A1TSHRCA1CA4HMGCR | |
| Pivalate SCHEMBL587697 | 0.80 | CA1 (0.43) | ALDH1A1TSHRCA1CA4FAHD1 | |
| SCHEMBL30886850 | 0.79 | ALDH1A1 (0.37) | ALDH1A1TSHRCA1CA4HMGCR | |
| Potassium Ion SCHEMBL1421665 | 0.77 | — | — | |
| SCHEMBL3133203 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRCA1CA4HMGCR | |
| SCHEMBL10458537 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TSHRCA1CA4HMGCR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109880068-B | Autocatalytic alkyd resin and preparation method thereof | 鹤山市肇能新材料有限公司 | 2021-06-04 | — | — | CN | disclosed |