Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6839745 | 0.88 | PPARD (0.52) | PPARDTSHRTP53TDP1ALDH1A1 | |
| SCHEMBL1276434 | 0.80 | PPARD (0.58) | PPARDTSHRTP53TDP1ALDH1A1 | |
| SCHEMBL2991834 | 0.80 | PPARD (0.58) | PPARDTSHRTP53TDP1ALDH1A1 | |
| SCHEMBL5839773 | 0.78 | PPARD (0.56) | PPARDTSHRTP53TDP1CA12 | |
| SCHEMBL7922676 | 0.78 | PPARD (0.56) | PPARDTSHRTP53TDP1ALDH1A1 | |
| SCHEMBL28021210 | 0.78 | PPARD (0.56) | PPARDTSHRTP53TDP1ALDH1A1 | |
| SCHEMBL1276940 | 0.77 | PPARD (0.46) | PPARDTSHRTP53TDP1ALDH1A1 | |
| SCHEMBL410825 | 0.77 | TSHR (0.50) | PPARDTSHRTP53TDP1ALDH1A1 | |
| SCHEMBL16691827 | 0.77 | PPARD (0.54) | PPARDTSHRTP53TDP1ALDH1A1 | |
| SCHEMBL15647138 | 0.77 | PPARD (0.54) | PPARDTSHRTP53TDP1CA12 |
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-0815103-A1 | TRYPSIN AND THROMBIN INHIBITORS | Novartis AG (CH) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996029327-A1 | TRYPSIN AND THROMBIN INHIBITORS | NOVARTIS AG (CH) | 1996-09-26 | — | — | WO | disclosed |