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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 16/20 | 0.51 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.32 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4787790 | 0.89 | SLC9A1 (0.54) | SLC9A1PIN1 | |
| SCHEMBL4785742 | 0.88 | SLC9A1 (0.53) | SLC9A1PIN1DHODH | |
| SCHEMBL4785802 | 0.88 | SLC9A1 (0.40) | SLC9A1PIN1CHEK2 | |
| SCHEMBL4788116 | 0.83 | SLC9A1 (0.40) | SLC9A1CHEK2 | |
| SCHEMBL4788030 | 0.83 | SLC9A1 (0.40) | SLC9A1CHEK2 | |
| SCHEMBL4786228 | 0.82 | SLC9A1 (0.46) | SLC9A1PIN1CHEK2 | |
| SCHEMBL4787952 | 0.82 | SLC9A1 (0.56) | SLC9A1PIN1DHODH | |
| SCHEMBL4787338 | 0.81 | SLC9A1 (0.54) | SLC9A1 | |
| SCHEMBL4788600 | 0.81 | PARP1 (0.42) | SLC9A1CHEK2 | |
| SCHEMBL4785411 | 0.80 | SLC9A1 (0.57) | SLC9A1PIN1 |
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-2008111794-A1 | 4-METHYLIMIDAZOL-5-YLCARBONYLGUANIDINE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE ISCHEMIC HEART DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT | KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2008-09-18 | — | — | WO | claimed |