Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL2053816 | 0.87 | ALDH1A1 (0.49) | TSHRHMGB1FOLH1CDK2ALDH1A1 | |
| SCHEMBL27535973 | 0.85 | ALDH1A1 (0.47) | TSHRHMGB1FOLH1CDK2ALDH1A1 | |
| SCHEMBL28638919 | 0.84 | TSHR (0.43) | TSHRHMGB1FOLH1CDK2ALDH1A1 | |
| SCHEMBL27969733 | 0.84 | HMGB1 (0.61) | TSHRHMGB1FOLH1CDK2ALDH1A1 | |
| SCHEMBL3387371 | 0.84 | TSHR (0.49) | TSHRHMGB1FOLH1ALDH1A1CYP1A2 | |
| SCHEMBL29163236 | 0.84 | HMGB1 (0.45) | TSHRHMGB1FOLH1CDK2ALDH1A1 | |
| SCHEMBL27574811 | 0.84 | TSHR (0.45) | TSHRHMGB1FOLH1CDK2ALDH1A1 | |
| SCHEMBL28471763 | 0.83 | ALDH1A1 (0.48) | TSHRFOLH1CDK2ALDH1A1MEN1 | |
| SCHEMBL27957680 | 0.83 | TSHR (0.44) | TSHRHMGB1FOLH1CDK2ALDH1A1 | |
| SCHEMBL1523175 | 0.81 | TSHR (0.53) | TSHRHMGB1FOLH1ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103080107-A | Heteroaryl compounds and compositions as protein kinase inhibitors | NOVARTIS AG | 2013-05-01 | — | — | CN | disclosed |