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 | |
|---|---|---|---|---|
| ▸ | ROCK2 known ✓ | O75116 | 1/20 | 0.32 |
| ▸ | MCL1 known ✓ | Q07820 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.35 |
| ▸ | NQO1 | P15559 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PLK1 | P53350 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8561924 | 0.82 | KEAP1 (0.36) | KEAP1NFE2L2TLR9ALDH1A1MAPT | |
| SCHEMBL7985172 | 0.80 | SIRT1 (0.44) | PARP1CHEK1NQO1ALDH1A1MAPT | |
| SCHEMBL8561951 | 0.78 | HSP90AA1 (0.43) | KEAP1NFE2L2TLR9ALDH1A1HSD17B10 | |
| SCHEMBL5828276 | 0.77 | PARP1 (0.51) | PARP1CHEK1NQO1ALDH1A1MAPT | |
| SCHEMBL9622936 | 0.74 | TERT (0.52) | PARP1NQO1ALDH1A1MAPTPLK1 | |
| SCHEMBL8133497 | 0.73 | SIRT1 (0.49) | PARP1CHEK1NQO1MAPTTDP1 | |
| Hydrochloric Acid SCHEMBL9622732 | 0.73 | TERT (0.51) | PARP1NQO1ALDH1A1MAPTPLK1 | |
| SCHEMBL8555782 | 0.71 | PARP1 (0.41) | PARP1CHEK1NQO1MAPTROCK2 | |
| SCHEMBL5828670 | 0.71 | PARP1 (0.59) | PARP1KEAP1NFE2L2ALDH1A1MAPT | |
| SCHEMBL9622806 | 0.70 | NQO1 (0.67) | PARP1CHEK1NQO1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5854273-A | Bisimide compounds | ADIR ET COMPAGNIE (FR) | 1998-12-29 | — | — | US | disclosed |