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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11856057 | 0.91 | KCNJ5 (0.41) | CYP1A2CYP3A4CYP2D6ALOX15CYP2C19 | |
| SCHEMBL11856524 | 0.91 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6ALOX15CYP2C19 | |
| SCHEMBL11852158 | 0.90 | IDO1 (0.44) | CYP1A2CYP3A4CYP2C19HDAC8 | |
| SCHEMBL11851234 | 0.86 | CYP3A4 (0.48) | CYP1A2CYP3A4CYP2D6ALOX15CYP2C19 | |
| SCHEMBL11851128 | 0.85 | PPARG (0.39) | — | |
| SCHEMBL11858924 | 0.84 | LMNA (0.41) | — | |
| SCHEMBL11852068 | 0.84 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6ALOX15CYP2C19 | |
| SCHEMBL11848999 | 0.84 | PPARA (0.43) | — | |
| SCHEMBL11858415 | 0.84 | HDAC8 (0.51) | CYP1A2CYP3A4CYP2D6ALOX15CYP2C19 | |
| SCHEMBL11856091 | 0.84 | NR3C1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3991201-A | 1-(β-Aryl-β-R-ethyl)imidazoles as antimicrobial agents | JANSSEN PHARMACEUTICA N.V. (BE) | 1976-11-09 | — | — | US | disclosed |