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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.40 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.44 |
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | TERT | O14746 | 1/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.40 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | OGA | O60502 | 1/20 | 0.38 |
| ▸ | HEXA | P06865 | 1/20 | 0.38 |
| ▸ | HEXB | P07686 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8133497 | 0.94 | SIRT1 (0.49) | SIRT1PARP1TERTDYRK3RPS6KB1 | |
| SCHEMBL7982472 | 0.82 | SIRT1 (0.55) | SIRT1TERTDYRK3RPS6KB1EPHA2 | |
| SCHEMBL8555782 | 0.80 | PARP1 (0.41) | SIRT1PARP1TERTDYRK3RPS6KB1 | |
| SCHEMBL8560926 | 0.80 | PARP1 (0.39) | PARP1CHEK1ALDH1A1MAPTNPSR1 | |
| SCHEMBL7984901 | 0.80 | SIRT1 (0.44) | SIRT1TERTDYRK3RPS6KB1EPHA2 | |
| SCHEMBL7988885 | 0.80 | SIRT1 (0.44) | SIRT1TERTDYRK3RPS6KB1EPHA2 | |
| SCHEMBL5828276 | 0.80 | PARP1 (0.51) | PARP1CHEK1HEXAHEXBALDH1A1 | |
| SCHEMBL7985094 | 0.79 | SIRT1 (0.44) | SIRT1TERTDYRK3RPS6KB1EPHA2 | |
| SCHEMBL7982362 | 0.77 | HEXA (0.51) | SIRT1TERTDYRK3RPS6KB1EPHA2 | |
| SCHEMBL9622936 | 0.77 | TERT (0.52) | PARP1TERTHEXAHEXBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6300340-B1 | USEFUL FOR THERAPY OF CANCER AND SOLID TUMORS | ADIR ET COMPAGNIE (FR) | 2001-10-09 | — | — | US | disclosed |
| US-6162822-A | Bisimide compounds | ADIR ET COMPAGNIE (FR) | 2000-12-19 | — | — | US | disclosed |