Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL9560553 | 0.94 | TSHR (0.44) | TSHRMAPTUSP2ALDH1A1GAA | |
| SCHEMBL9560780 | 0.94 | TSHR (0.44) | TSHRMAPTUSP2ALDH1A1GAA | |
| SCHEMBL9560795 | 0.94 | TSHR (0.44) | TSHRMAPTUSP2ALDH1A1GAA | |
| SCHEMBL9560268 | 0.90 | DGKA (0.40) | TSHRMAPTUSP2ALDH1A1GAA | |
| SCHEMBL6259578 | 0.90 | TSHR (0.40) | TSHRMAPTUSP2ALDH1A1GAA | |
| SCHEMBL9560506 | 0.89 | DGKA (0.46) | TSHRMAPTALDH1A1LMNAKDM4E | |
| SCHEMBL5946669 | 0.88 | TSHR (0.39) | TSHRMAPTUSP2ALDH1A1GAA | |
| SCHEMBL9560708 | 0.88 | DGKA (0.49) | TSHRMAPTALDH1A1LMNAKDM4E | |
| SCHEMBL9560975 | 0.88 | DGKA (0.49) | TSHRMAPTALDH1A1LMNAKDM4E | |
| SCHEMBL15496996 | 0.86 | TSHR (0.38) | TSHRMAPTUSP2ALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5190688-A | Perfluoroalkyl Compounds Dopes | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-03-02 | — | — | US | disclosed |
| EP-0300009-B1 | LIQUID CRYSTALLINE MIXTURE | MERCK PATENT GmbH (DE) | 1992-01-02 | — | — | EP | disclosed |