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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 6/20 | 0.48 |
| ▸ | ACVR1 | Q04771 | 6/20 | 0.48 |
| ▸ | ACVR1B | P36896 | 2/20 | 0.48 |
| ▸ | NEK2 | P51955 | 7/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5203572 | 0.92 | TGFBR1 (0.52) | TGFBR1ACVR1ACVR1BNEK2KDM4E | |
| SCHEMBL5205444 | 0.92 | TGFBR1 (0.47) | TGFBR1ACVR1ACVR1BNEK2PLK1 | |
| SCHEMBL5208583 | 0.89 | TGFBR1 (0.49) | TGFBR1ACVR1ACVR1BKDM4EMAPT | |
| SCHEMBL5209830 | 0.83 | TGFBR1 (0.52) | TGFBR1ACVR1ACVR1BKDM4EMAPT | |
| SCHEMBL5207666 | 0.80 | TGFBR1 (0.49) | TGFBR1ACVR1ACVR1BKDM4EMAPT | |
| SCHEMBL5208695 | 0.75 | ACVR1 (0.53) | TGFBR1ACVR1ACVR1BKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL5210606 | 0.74 | ACVR1 (0.52) | TGFBR1ACVR1ACVR1BKDM4EMAPT | |
| SCHEMBL5210694 | 0.71 | FYN (0.40) | TGFBR1ACVR1KDM4EMAPTFYN | |
| SCHEMBL5202996 | 0.70 | FYN (0.41) | TGFBR1ACVR1NEK2MAPTFYN | |
| SCHEMBL5211250 | 0.70 | FYN (0.43) | NEK2FYNMAP3K11 |
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 2 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 |