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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | MDH1 | P40925 | 10/20 | 0.41 |
| ▸ | MDH2 | P40926 | 10/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10609696 | 0.80 | CYP3A4 (0.47) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL15135854 | 0.77 | CYP3A4 (0.57) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL10612296 | 0.77 | CYP3A4 (0.54) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL4619376 | 0.77 | CYP3A4 (0.56) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL5797232 | 0.76 | AR (0.47) | CYP3A4SMN1; SMN2KDM4EMEN1KMT2A | |
| SCHEMBL11598153 | 0.76 | NR1H4 (0.47) | SMN1; SMN2MEN1KMT2ANR1H4 | |
| SCHEMBL18844500 | 0.76 | CYP3A4 (0.54) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL10629728 | 0.74 | MTNR1A (0.44) | KMT2A | |
| SCHEMBL27942231 | 0.74 | MDH1 (0.49) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 | |
| SCHEMBL29167472 | 0.72 | CYP3A4 (0.51) | CYP3A4SMN1; SMN2SHBGMDH1MDH2 |
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 |