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 | |
|---|---|---|---|---|
| ▸ | KDR known ✓ | P35968 | 8/20 | 0.37 |
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | FGFR1 | P11362 | 8/20 | 0.37 |
| ▸ | FGFR3 | P22607 | 8/20 | 0.37 |
| ▸ | FGFR4 | P22455 | 6/20 | 0.36 |
| ▸ | FGFR2 | P21802 | 5/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5208648 | 0.91 | NPC1 (0.46) | MTNR1AMTNR1BFYNNPC1RAB9A | |
| SCHEMBL5206043 | 0.86 | FYN (0.40) | FYNADORA3 | |
| SCHEMBL5209121 | 0.86 | MELK (0.39) | MTNR1AMTNR1BFYN | |
| SCHEMBL5210482 | 0.86 | NPC1 (0.48) | NPC1RAB9AFGFR1FGFR3KDR | |
| SCHEMBL5208533 | 0.83 | NPC1 (0.39) | FYNNPC1RAB9AFGFR1FGFR3 | |
| SCHEMBL5204290 | 0.83 | FYN (0.39) | FYNADORA3 | |
| SCHEMBL5209033 | 0.82 | MTNR1A (0.38) | MTNR1AMTNR1BFGFR1FGFR4CYP1A2 | |
| SCHEMBL5209044 | 0.82 | FYN (0.33) | MTNR1AMTNR1BFYNCYP2C9 | |
| SCHEMBL5208394 | 0.81 | MELK (0.40) | FYN | |
| SCHEMBL5202996 | 0.81 | FYN (0.41) | FYNADORA3 |
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 |