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 | |
|---|---|---|---|---|
| ▸ | F2 known ✓ | P00734 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27963455 | 0.86 | CA2 (0.39) | CA2CA1TSHRTDP1ALDH1A1 | |
| SCHEMBL6931812 | 0.79 | CA2 (0.39) | CA2CA1TSHRTDP1ALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL1750663 | 0.79 | CA2 (0.45) | CA2CA1TSHRTDP1ALDH1A1 | |
| Trifluoromethanesulfonic Acid SCHEMBL2240490 | 0.79 | CA2 (0.45) | CA2CA1TSHRTDP1ALDH1A1 | |
| Sulfuric Acid SCHEMBL6233490 | 0.77 | CA5A (0.50) | CA2CA1TSHRTDP1ALDH1A1 | |
| Fluoromethane SCHEMBL27512610 | 0.76 | — | — | |
| SCHEMBL246838 | 0.76 | CA2 (0.58) | CA2CA1TSHRTDP1ALDH1A1 | |
| SCHEMBL25599 | 0.76 | CA2 (0.58) | CA2CA1TSHRTDP1ALDH1A1 | |
| SCHEMBL8596055 | 0.76 | CA2 (0.58) | CA2CA1TSHRTDP1ALDH1A1 | |
| SCHEMBL15109974 | 0.76 | — | — |
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-115340479-A | Synthetic method of 2- (2,2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride | 山东华升新材料有限公司 | 2022-11-15 | — | — | CN | disclosed |
| CN-114956954-A | Preparation method of 1,1-difluoro-2-iodoethane | 扬州市普林斯医药科技有限公司 | 2022-08-30 | — | — | CN | disclosed |
| CN-109574884-A | A kind of preparation method of 2- (2,2- difluoroethoxy) -6- trifluoromethyl propyl thioether | 淮安国瑞化工有限公司 | 2019-04-05 | — | — | CN | disclosed |