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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.63 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.63 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.63 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.63 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.63 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.63 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.63 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.63 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.63 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.63 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.63 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | BLM | P54132 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.63 |
| ▸ | ESR1 | P03372 | 1/20 | 0.63 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.63 |
| ▸ | FYN | P06241 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL2886354 | 1.00 | CYSLTR1 (0.63) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| SCHEMBL2886360 | 1.00 | CYSLTR1 (0.63) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| SCHEMBL990277 | 0.95 | CYSLTR1 (0.66) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| SCHEMBL201921 | 0.95 | CYSLTR1 (0.66) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| SCHEMBL29903285 | 0.95 | CYSLTR1 (0.66) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| SCHEMBL201920 | 0.95 | CYSLTR1 (0.66) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| SCHEMBL1150080 | 0.95 | CYSLTR1 (0.66) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| SCHEMBL9926899 | 0.95 | CYSLTR1 (0.66) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| SCHEMBL30205136 | 0.95 | CYSLTR1 (0.66) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL | |
| Alcohol SCHEMBL2569564 | 0.93 | CYSLTR1 (0.64) | CYSLTR1CYP2C8CYSLTR2MEN1RECQL |
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-101679268-A | Process for preparing sodium salt of 1- (((1(R) - (3- (2- (7-chloro-2-quinolinyl) -ethenyl) phenyl) -3- (2- (1-hydroxy-1-methylethyl) phenyl) propyl) sulfanyl) methyl) cyclopropaneacetic acid | ZAKLADY FARM POLPHARMA SA | 2010-03-24 | — | — | CN | disclosed |