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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.44 |
| ▸ | PIK3CD known ✓ | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB known ✓ | P42338 | 1/20 | 0.39 |
| ▸ | PIK3CG known ✓ | P48736 | 1/20 | 0.39 |
| ▸ | MCL1 known ✓ | Q07820 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.47 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | CFTR | P13569 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | QPCT | Q16769 | 1/20 | 0.46 |
| ▸ | TERT | O14746 | 9/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7371005 | 0.94 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2C19NCOA1NCOA3 | |
| SCHEMBL7371812 | 0.88 | KDM4E (0.52) | CYP1A2CYP3A4CYP2C19CYP1A1CYP1B1 | |
| SCHEMBL7380070 | 0.83 | HPGD (0.65) | CYP1A2CYP3A4CYP2C19CYP1A1CYP1B1 | |
| SCHEMBL7375040 | 0.83 | TERT (0.65) | CYP1A2CYP3A4CYP2C19CYP1A1CYP1B1 | |
| SCHEMBL7380386 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C19NCOA1NCOA3 | |
| SCHEMBL7375563 | 0.81 | TERT (0.52) | CYP1A2CYP3A4CYP2C19CYP1A1CYP1B1 | |
| SCHEMBL7374824 | 0.80 | TERT (0.65) | CYP3A4TERTKDM4EALDH1A1HPGD | |
| SCHEMBL7378981 | 0.78 | TERT (0.52) | CYP1A2CYP3A4CYP2C19POLBTERT | |
| SCHEMBL3188097 | 0.78 | PDE5A (0.56) | CYP1A2CYP3A4CYP2C19NCOA1NCOA3 | |
| SCHEMBL7371816 | 0.77 | CSNK2A2 (0.59) | CYP3A4CYP2C19TERTKDM4EALDH1A1 |
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-1115718-A1 | HYDROXYFLAVONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS | MITSUBISHI CHEMICAL CORPORATION (JP) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000017184-A1 | HYDROXYFLAVONE DERIVATIVES AS TAU PROTEIN KINASE 1 INHIBITORS | MITSUBISHI CHEMICAL CORPORATION (JP) | 2000-03-30 | — | — | WO | disclosed |