Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMAD3 | P84022 | 2/20 | 0.39 |
| ▸ | APAF1 | O14727 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8909629 | 0.90 | CA12 (0.39) | HTTESR1ALDH1A1SMN1; SMN2GABRG2 | |
| SCHEMBL8911562 | 0.86 | POLB (0.40) | HTTALDH1A1GABRG2GABRB3GABRA5 | |
| SCHEMBL8912086 | 0.86 | CYP2C9 (0.39) | HTTESR1ALDH1A1MAPTNPSR1 | |
| SCHEMBL1388815 | 0.85 | MAPT (0.44) | APAF1HTTALDH1A1SMN1; SMN2GABRG2 | |
| SCHEMBL8910230 | 0.84 | GABRA1 (0.38) | ALDH1A1SMN1; SMN2GABRG2GABRB3GABRA5 | |
| SCHEMBL1388445 | 0.78 | CA12 (0.37) | APAF1HTTALDH1A1SMN1; SMN2GABRG2 | |
| SCHEMBL9434967 | 0.75 | MAPT (0.42) | APAF1HTTALDH1A1SMN1; SMN2GABRG2 | |
| SCHEMBL8156114 | 0.74 | CHRM2 (0.38) | ALDH1A1MAPTGAA | |
| SCHEMBL8150571 | 0.73 | HTT (0.32) | APAF1HTTALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL8150139 | 0.72 | RAB9A (0.33) | HTTALDH1A1SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994002483-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1994-02-03 | — | — | WO | disclosed |