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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 2/20 | 0.49 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.49 |
| ▸ | DRD3 known ✓ | P35462 | 2/20 | 0.49 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.53 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.53 |
| ▸ | HPGDS | O60760 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6506385 | 0.91 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL11988213 | 0.83 | DRD2 (0.57) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL28007048 | 0.78 | HRH3 (0.54) | CYP1A2CYP2C19DRD2ADRA1ADRD3 | |
| SCHEMBL30417218 | 0.78 | HPGDS (0.58) | ALDH1A1HSD17B10HPGDSKDM4EMEN1 | |
| SCHEMBL31690833 | 0.77 | HRH3 (0.56) | CYP1A2CYP2C19DRD2ADRA1ADRD3 | |
| SCHEMBL978209 | 0.76 | DRD2 (0.58) | ALDH1A1DRD2ADRA1ADRD3KDM4E | |
| SCHEMBL8010491 | 0.75 | DRD2 (0.60) | DRD2ADRA1ADRD3 | |
| SCHEMBL27446049 | 0.74 | L3MBTL1 (0.62) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL1255083 | 0.74 | CYP2C19 (0.53) | CYP1A2CYP2C19CYP2D6ALDH1A1TSHR | |
| SCHEMBL9906945 | 0.74 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C19CYP2D6ALDH1A1 |
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-2011022473-A1 | BIARYL COMPOUNDS AND METHODS OF USE THEREOF | AMBIT BIOSCIENCES CORPORATION (US) | 2011-02-24 | — | — | WO | disclosed |