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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.46 |
| ▸ | FDPS | P14324 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | FABP1 | P07148 | 1/20 | 0.45 |
| ▸ | FABP6 | P51161 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11673898 | 0.87 | CYP1A2 (0.53) | CYP2C19CYP1A2LMNATDP1CXCR4 | |
| SCHEMBL17517939 | 0.78 | ITGB3 (0.44) | CYP2C19CYP1A2LMNATDP1ALDH1A1 | |
| SCHEMBL4715303 | 0.77 | CYP1A2 (0.50) | CYP2C19CYP1A2CXCR4FDPSFABP1 | |
| SCHEMBL10861718 | 0.77 | CYP1A2 (0.66) | CYP2C19CYP1A2CXCR4FDPSFABP1 | |
| SCHEMBL3265804 | 0.76 | CYP1A2 (0.70) | CYP2C19CYP1A2CXCR4FDPSTSHR | |
| SCHEMBL4717933 | 0.76 | CYP1A2 (0.49) | CYP2C19CYP1A2CXCR4FDPSFABP1 | |
| SCHEMBL9644591 | 0.75 | CYP1A2 (0.63) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL10858528 | 0.75 | CYP1A2 (0.63) | CYP2C19CYP1A2CXCR4FABP1FABP6 | |
| SCHEMBL13589546 | 0.73 | CYP2C19 (0.56) | CYP2C19CYP1A2CXCR4FDPSFABP1 | |
| SCHEMBL31015708 | 0.73 | CYP2C19 (0.65) | CYP2C19CYP1A2CXCR4FDPSTSHR |
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 |