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 | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 3/20 | 0.79 |
| ▸ | GSK3B | P49841 | 3/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL338442 | 0.89 | GSK3A (1.00) | GSK3AGSK3BALDH1A1POLBHDAC1 | |
| SCHEMBL7252535 | 0.81 | GSK3A (0.82) | GSK3AGSK3BALDH1A1POLBHDAC1 | |
| SCHEMBL5457409 | 0.80 | GSK3A (0.81) | GSK3AGSK3BALDH1A1POLBHDAC1 | |
| SCHEMBL26711297 | 0.80 | GSK3A (0.57) | GSK3AGSK3BALDH1A1POLBHDAC1 | |
| SCHEMBL5455147 | 0.79 | GSK3A (0.74) | GSK3AGSK3BALDH1A1POLBHDAC1 | |
| SCHEMBL5468600 | 0.78 | GSK3A (0.66) | GSK3AGSK3BALDH1A1POLBHDAC1 | |
| SCHEMBL5468359 | 0.78 | GSK3A (0.66) | GSK3AGSK3BALDH1A1POLBHDAC1 | |
| SCHEMBL5455104 | 0.78 | GSK3A (0.71) | GSK3AGSK3BALDH1A1POLBHDAC1 | |
| SCHEMBL5455190 | 0.77 | GSK3A (0.74) | GSK3AGSK3BALDH1A1POLBHDAC1 | |
| SCHEMBL5455188 | 0.77 | GSK3A (0.74) | GSK3AGSK3BALDH1A1POLBHDAC1 |
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-1349855-A1 | 5-'4-'2-(N-METHYL-N- (2-PYRIDYL)AMINO)ETHOXY!BENZYL!THIAZOLIDINE-2, 4-DIONE MESYLATE SALT | SMITHKLINE BEECHAM PLC (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002051839-A1 | 5-'4-'2-(N-METHYL-N- (2-PYRIDYL)AMINO)ETHOXY!BENZYL!THIAZOLIDINE-2, 4-DIONE MESYLATE SALT | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-07-04 | — | — | WO | disclosed |