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 | |
|---|---|---|---|---|
| ▸ | MCL1 known ✓ | Q07820 | 2/20 | 0.33 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 5/20 | 0.47 |
| ▸ | BRD4 | O60885 | 8/20 | 0.35 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8073391 | 0.94 | PARP1 (0.48) | PARP1AVPR2DRD2DRD1KDM4E | |
| SCHEMBL8070000 | 0.88 | PARP1 (0.50) | PARP1DRD2DRD1KDM4EALDH1A1 | |
| SCHEMBL8069950 | 0.86 | MCL1 (0.40) | PARP1AVPR2MCL1MEN1KMT2A | |
| SCHEMBL8059345 | 0.82 | PARP1 (0.46) | PARP1BRD4AVPR2MCL1CREBBP | |
| SCHEMBL8068330 | 0.77 | PARP1 (0.38) | PARP1KDM4EALDH1A1MAPT | |
| SCHEMBL8070427 | 0.77 | PARP1 (0.38) | PARP1DRD2HSD17B10KDM4EALDH1A1 | |
| SCHEMBL8070377 | 0.76 | BRD4 (0.33) | PARP1BRD4CREBBPMEN1KMT2A | |
| SCHEMBL8073394 | 0.76 | PARP1 (0.47) | PARP1AVPR2DRD2DRD1KDM4E | |
| SCHEMBL8059448 | 0.75 | PARP1 (0.36) | PARP1DRD2HSD17B10KDM4EALDH1A1 | |
| SCHEMBL8069957 | 0.73 | PARP1 (0.38) | PARP1DRD2KDM4EALDH1A1MAPT |
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-0803501-B1 | Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors | SUMITOMO PHARMA (JP) | 2000-07-05 | — | — | EP | disclosed |
| EP-0803501-A1 | Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1997-10-29 | — | — | EP | disclosed |