Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.55 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | PPARA | Q07869 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.46 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7990559 | 0.98 | PPARG (0.54) | PPARGEPHX2CYP1A2PPARASLC6A4 | |
| SCHEMBL4663230 | 0.88 | CYP1A2 (0.65) | PPARGEPHX2CYP1A2PPARASLC6A4 | |
| SCHEMBL29331235 | 0.86 | PPARG (0.49) | PPARGEPHX2CYP1A2PPARASLC6A4 | |
| SCHEMBL4986563 | 0.84 | PPARG (0.48) | PPARGEPHX2PPARASLC6A4KMT2A | |
| SCHEMBL4620825 | 0.83 | SLC7A5 (0.61) | CYP1A2SLC1A3SLC1A2SLC1A1CPA1 | |
| SCHEMBL4738660 | 0.83 | SLC7A5 (0.61) | CYP1A2SLC1A3SLC1A2SLC1A1CPA1 | |
| SCHEMBL27880109 | 0.83 | FOLH1 (0.51) | PPARGEPHX2CYP1A2PPARASLC6A4 | |
| SCHEMBL4738634 | 0.82 | CYP1A2 (0.76) | CYP1A2SLC1A3SLC1A2SLC1A1CPA1 | |
| SCHEMBL5171909 | 0.82 | CYP1A2 (0.76) | CYP1A2SLC1A3SLC1A2SLC1A1CPA1 | |
| SCHEMBL558159 | 0.82 | CYP1A2 (0.76) | CYP1A2SLC1A3SLC1A2SLC1A1CPA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1883620-A1 | ß-AMINO ACID DERIVATIVES | Pfizer Limited (GB) | 2008-02-06 | — | — | EP | claimed |
| WO-2006120544-A1 | β-AMINO ACID DERIVATIVES | PFIZER LIMITED (GB) | 2006-11-16 | — | — | WO | claimed |
| CN-116693515-A | GST protein inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2023-09-05 | — | — | CN | disclosed |
| CN-116446054-A | CBP/P300 inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2023-07-18 | — | — | CN | disclosed |
| EP-1883620-A1 | ß-AMINO ACID DERIVATIVES | Pfizer Limited (GB) | 2008-02-06 | — | — | EP | disclosed |
| WO-2006120544-A1 | β-AMINO ACID DERIVATIVES | PFIZER LIMITED (GB) | 2006-11-16 | — | — | WO | disclosed |