Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.44 |
| ▸ | CES1 | P23141 | 4/20 | 0.44 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 6/20 | 0.38 |
| ▸ | PPARD | Q03181 | 6/20 | 0.38 |
| ▸ | PPARA | Q07869 | 6/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TLR2 | O60603 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL30854803 | 0.89 | KMT2A (0.52) | CES2CES1HAO1KMT2AMAPT | |
| SCHEMBL30496640 | 0.89 | KMT2A (0.52) | CES2CES1HAO1KMT2AMAPT | |
| SCHEMBL30939740 | 0.89 | KMT2A (0.52) | CES2CES1HAO1KMT2AMAPT | |
| SCHEMBL28261269 | 0.89 | CES2 (0.40) | CES2CES1HAO1KMT2AMAPT | |
| SCHEMBL28965283 | 0.89 | CES2 (0.40) | CES2CES1HAO1KMT2AMAPT | |
| SCHEMBL28573713 | 0.89 | CES2 (0.40) | CES2CES1HAO1KMT2AMAPT | |
| SCHEMBL28962441 | 0.89 | CES2 (0.40) | CES2CES1HAO1KMT2AMAPT | |
| Hydrochloric Acid SCHEMBL27568198 | 0.88 | KMT2A (0.50) | CES2CES1HAO1KMT2AMAPT | |
| Sulfuric Acid SCHEMBL29027462 | 0.81 | CES2 (0.41) | CES2CES1HAO1KMT2AMAPT | |
| SCHEMBL30239653 | 0.80 | FAAH (0.60) | KMT2AMAPTPPARGPPARDPPARA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117320685-A | Composition for skin protection comprising an antimicrobial agent and a (bio) -alkanediol | 西姆莱斯股份公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-116615172-A | Composition comprising a natural polymer and one or more (bio) alkanediols | 西姆莱斯股份公司 | 2023-08-18 | — | — | CN | disclosed |
| CN-116348086-A | Surfactant-containing formulations of ceramide | 西姆莱斯股份公司 | 2023-06-27 | — | — | CN | disclosed |