Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMAD3 | P84022 | 1/20 | 0.41 |
| ▸ | GNG2 | P59768 | 1/20 | 0.39 |
| ▸ | GNB1 | P62873 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TPMT | P51580 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.32 |
| ▸ | THRB | P10828 | 3/20 | 0.32 |
| ▸ | RECQL | P46063 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL30929844 | 0.86 | GNG2 (0.55) | SMAD3GNG2GNB1HTTDHFR | |
| SCHEMBL2167804 | 0.85 | SMAD3 (0.43) | SMAD3GNG2GNB1GAAPKM | |
| SCHEMBL15019692 | 0.84 | GNG2 (0.50) | SMAD3GNG2GNB1GAAPKM | |
| SCHEMBL29401708 | 0.84 | GNG2 (0.50) | SMAD3GNG2GNB1GAAPKM | |
| SCHEMBL2316418 | 0.82 | GNG2 (0.47) | SMAD3GNG2GNB1GAAPKM | |
| SCHEMBL20526266 | 0.81 | SMAD3 (0.49) | SMAD3GNG2GNB1GAAPKM | |
| SCHEMBL1682554 | 0.80 | SMAD3 (0.40) | SMAD3GNG2GNB1TDP1THRB | |
| SCHEMBL29838713 | 0.79 | MEN1 (0.39) | GNG2GNB1GAAPKMHTT | |
| SCHEMBL29353753 | 0.79 | MEN1 (0.39) | GNG2GNB1GAAPKMHTT | |
| SCHEMBL16118 | 0.79 | MEN1 (0.39) | GNG2GNB1GAAPKMHTT |
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-2687513-B1 | DRUGS FOR INHIBITING AGGREGATION OF PROTEINS INVOLVED IN DISEASES LINKED TO PROTEIN AGGREGATION AND/OR NEURODEGENERATIVE DISEASES | UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) | 2020-12-02 | — | — | EP | disclosed |
| EP-3385699-A1 | OPTOFLUIDIC DEVICE AND METHOD FOR DETECTING CIRCULATING TUMOUR CELLS | Universitat Rovira i Virgili (ES) | 2018-10-10 | — | — | EP | disclosed |