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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27787727 | 0.85 | CA2 (0.35) | CA2TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL27868426 | 0.82 | CA2 (0.33) | CA2TSHRTDP1 | |
| SCHEMBL8063871 | 0.77 | — | — | |
| SCHEMBL43150 | 0.77 | — | — | |
| SCHEMBL28327216 | 0.75 | CA2 (0.37) | CA2CYP3A4TSHRTDP1 | |
| SCHEMBL23631854 | 0.74 | CA2 (0.41) | CA2CYP3A4TSHRTDP1 | |
| SCHEMBL28243588 | 0.73 | — | — | |
| SCHEMBL27655582 | 0.73 | — | — | |
| Acetic Acid SCHEMBL28764934 | 0.73 | — | — | |
| SCHEMBL25291433 | 0.73 | TP53 (0.36) | CA2TSHRTDP1 |
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-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 |