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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 2/20 | 0.38 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CASR | P41180 | 1/20 | 0.36 |
| ▸ | ACP3 | P15309 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7490597 | 0.84 | AOC3 (0.43) | AOC3HPGDIDO1ADRB2ADRB1 | |
| SCHEMBL7491436 | 0.81 | AOC3 (0.50) | AOC3HPGDIDO1SLC6A2SLC6A4 | |
| SCHEMBL7486969 | 0.80 | AOC3 (0.52) | AOC3IDO1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27606230 | 0.80 | AOC3 (0.49) | AOC3HPGDIDO1SLC6A2SLC6A4 | |
| SCHEMBL7486961 | 0.80 | AOC3 (0.52) | AOC3IDO1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL24615882 | 0.77 | AOC3 (0.64) | AOC3IDO1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5220341 | 0.76 | AOC3 (0.44) | AOC3IDO1ADRB2SLC6A2SLC6A4 | |
| SCHEMBL2065580 | 0.75 | GSR (0.47) | HPGDSLC6A4 | |
| SCHEMBL2065578 | 0.75 | GSR (0.47) | HPGDSLC6A4 | |
| SCHEMBL7484319 | 0.73 | HDAC7 (0.47) | AOC3HDAC7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0825189-B1 | 1,4-BENZODIOXIN DERIVATIVES | NISSHIN PHARMA INC (JP) | 2002-01-02 | — | — | EP | disclosed |
| US-6130243-A | PROPHYLACTIC OR THERAPEUTIC AGENT FOR DIABETES, HYPERGLYCEMIA AND OBESITY IN MAMMALS | NISSHIN FLOUR MILLING CO., LTD. (JP) | 2000-10-10 | — | — | US | disclosed |
| EP-0825189-A1 | 1,4-BENZODIOXIN DERIVATIVES | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1998-02-25 | — | — | EP | disclosed |