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 | |
|---|---|---|---|---|
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.43 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HEXA | P06865 | 3/20 | 0.38 |
| ▸ | HEXB | P07686 | 3/20 | 0.38 |
| ▸ | OGA | O60502 | 1/20 | 0.38 |
| ▸ | TERT | O14746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8134515 | 0.94 | SIRT1 (0.48) | SIRT1FTOCA12CA1CA2 | |
| SCHEMBL7982472 | 0.83 | SIRT1 (0.55) | SIRT1HEXAHEXBOGATERT | |
| SCHEMBL7971372 | 0.82 | HEXA (0.51) | SIRT1HEXAHEXBOGADYRK3 | |
| SCHEMBL7985064 | 0.81 | HEXA (0.52) | SIRT1HEXAHEXBOGADYRK3 | |
| SCHEMBL7982362 | 0.78 | HEXA (0.51) | SIRT1HEXAHEXBOGATERT | |
| SCHEMBL7985052 | 0.78 | HEXA (0.50) | HEXAHEXBOGATERT | |
| SCHEMBL8129861 | 0.77 | HEXA (0.55) | SIRT1HEXAHEXBOGADYRK3 | |
| SCHEMBL8122059 | 0.77 | HEXA (0.55) | SIRT1HEXAHEXBOGA | |
| SCHEMBL7985741 | 0.77 | HEXA (0.46) | SIRT1HEXAHEXB | |
| SCHEMBL8129190 | 0.76 | SIRT1 (0.63) | SIRT1HEXAHEXBOGATERT |
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-6162822-A | Bisimide compounds | ADIR ET COMPAGNIE (FR) | 2000-12-19 | — | — | US | disclosed |