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 | |
|---|---|---|---|---|
| ▸ | MELK | Q14680 | 5/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 3/20 | 0.35 |
| ▸ | SMPD3 | Q9NY59 | 3/20 | 0.35 |
| ▸ | GRK5 | P34947 | 1/20 | 0.35 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5208394 | 0.95 | MELK (0.40) | MELKIDO1TDO2ERN1APP | |
| SCHEMBL5204261 | 0.93 | SMPD3 (0.40) | IDO1TDO2ERN1APPFYN | |
| SCHEMBL5206043 | 0.91 | FYN (0.40) | FYN | |
| SCHEMBL5207615 | 0.88 | SMPD3 (0.41) | IDO1TDO2ERN1APPFYN | |
| SCHEMBL5204290 | 0.88 | FYN (0.39) | FYN | |
| SCHEMBL5209044 | 0.86 | FYN (0.33) | MELKFYNMTNR1AMTNR1B | |
| SCHEMBL5207683 | 0.86 | MTNR1A (0.40) | FYNMTNR1AMTNR1B | |
| SCHEMBL5203564 | 0.86 | MAPT (0.35) | MELKIDO1TDO2FYNGRK5 | |
| SCHEMBL5202996 | 0.86 | FYN (0.41) | FYN | |
| SCHEMBL5208977 | 0.85 | KDM1A (0.41) | MELKIDO1TDO2FYN |
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-1403251-B1 | BIS(2-ARYL-5-PYRIDYL) DERIVATIVE | KOWA CO (JP) | 2007-07-18 | — | — | EP | disclosed |
| US-6890940-B2 | Bis(2-aryl-5-pyridyl) derivatives | KOWA CO., LTD. (JP) | 2005-05-10 | — | — | US | disclosed |
| EP-1403251-A1 | BIS(2-ARYL-5-PYRIDYL) DERIVATIVE | Kowa Co., Ltd. (JP) | 2004-03-31 | — | — | EP | disclosed |