Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.58 |
| ▸ | EGFR | P00533 | 1/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | GABRP | O00591 | 1/20 | 0.50 |
| ▸ | GABRD | O14764 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL16110173 | 0.89 | KDM4E (0.58) | ALDH1A1KDM4EEGFRSRCKMT2A | |
| SCHEMBL7950698 | 0.87 | ALDH1A1 (0.56) | ALDH1A1KDM4EEGFRSRCKMT2A | |
| SCHEMBL16110166 | 0.86 | ALDH1A1 (0.55) | ALDH1A1KDM4EKMT2APKMGAA | |
| SCHEMBL30639225 | 0.84 | TSHR (0.66) | ALDH1A1KDM4EKMT2APKMGAA | |
| SCHEMBL7878088 | 0.84 | TSHR (0.66) | ALDH1A1KDM4EKMT2APKMGAA | |
| SCHEMBL27765520 | 0.83 | KDM4E (0.61) | ALDH1A1KDM4EGAATSHRGABRP | |
| SCHEMBL9867870 | 0.82 | ALDH1A1 (0.68) | ALDH1A1KDM4EKMT2APKMGAA | |
| SCHEMBL23931478 | 0.81 | ALDH1A1 (0.56) | ALDH1A1KDM4EKMT2APKMGAA | |
| SCHEMBL1920160 | 0.81 | MAPT (0.62) | ALDH1A1KDM4EKMT2APKMGAA | |
| SCHEMBL8689676 | 0.81 | ALDH1A1 (0.56) | ALDH1A1KDM4EKMT2APKMGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1692157-B1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMA (US) | 2013-04-17 | — | — | EP | disclosed |