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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.40 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.40 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.40 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.40 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.40 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.40 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.40 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.40 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.40 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.40 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.40 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.40 |
| ▸ | GHSR known ✓ | Q92847 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | MDH1 | P40925 | 9/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28001129 | 0.93 | CYP3A4 (0.61) | CYP3A4SMN1; SMN2MDH1MDH2LMNA | |
| SCHEMBL7879426 | 0.93 | CYP3A4 (0.61) | CYP3A4SMN1; SMN2MDH1MDH2LMNA | |
| SCHEMBL28000802 | 0.93 | CYP3A4 (0.61) | CYP3A4SMN1; SMN2MDH1MDH2LMNA | |
| SCHEMBL10612284 | 0.80 | CYP3A4 (0.50) | CYP3A4SMN1; SMN2MDH1MDH2LMNA | |
| SCHEMBL28000798 | 0.79 | LMNA (0.55) | LMNAHIF1AHTTMAPTHRH3 | |
| SCHEMBL15677164 | 0.78 | AR (0.62) | CYP3A4SMN1; SMN2MDH1MDH2LMNA | |
| SCHEMBL2108184 | 0.78 | CYP3A4 (0.62) | CYP3A4SMN1; SMN2MDH1MDH2LMNA | |
| SCHEMBL10609700 | 0.77 | CYP3A4 (0.50) | CYP3A4SMN1; SMN2MDH1MDH2SHBG | |
| SCHEMBL2108647 | 0.77 | SMN1; SMN2 (0.54) | CYP3A4SMN1; SMN2MDH1MDH2LMNA | |
| SCHEMBL17024108 | 0.77 | CYP3A4 (0.56) | CYP3A4SMN1; SMN2MDH1MDH2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-1988003756-A1 | AMINO-ALKYLATED HYDROXY COMPOUNDS AND THEIR USE AS FUNGICIDES | A/S CHEMINOVA (DK) | 1988-06-02 | — | — | WO | disclosed |