Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.54 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | GMNN | O75496 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865524 | 1.00 | NPSR1 (0.54) | NPSR1TSHRKDM4ELMNATP53 | |
| SCHEMBL9247790 | 0.96 | PARP1 (0.54) | NPSR1TSHRKDM4ELMNATP53 | |
| SCHEMBL375852 | 0.88 | PDK1 (0.55) | PDK1PDK2PDK3PDK4PARP1 | |
| SCHEMBL933923 | 0.88 | PDK1 (0.55) | PDK1PDK2PDK3PDK4PARP1 | |
| SCHEMBL2442588 | 0.88 | PDK1 (0.55) | PDK1PDK2PDK3PDK4PARP1 | |
| SCHEMBL5889141 | 0.88 | CTRB1 (0.51) | NPSR1TSHRKDM4ELMNAMAPT | |
| SCHEMBL6487540 | 0.87 | PDK1 (0.53) | NPSR1MAPTPDK1PDK2PDK3 | |
| SCHEMBL1288345 | 0.87 | PDK1 (0.53) | NPSR1MAPTPDK1PDK2PDK3 | |
| SCHEMBL15298945 | 0.87 | PDK1 (0.53) | NPSR1MAPTPDK1PDK2PDK3 | |
| SCHEMBL7492256 | 0.87 | PDK1 (0.54) | PDK1PDK2PDK3PDK4PARP1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652369-A | PROTEASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1997-07-29 | — | — | US | disclosed |
| US-5620987-A | Amino acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 1997-04-15 | — | — | US | disclosed |
| US-5554756-A | PROTEASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1996-09-10 | — | — | US | disclosed |
| US-5446161-A | Protease inhibitor, viricides | HOFFMANN-LA ROCHE INC. (US) | 1995-08-29 | — | — | US | disclosed |
| EP-0346847-B1 | Amino acid derivatives | HOFFMANN LA ROCHE (CH) | 1994-05-11 | — | — | EP | disclosed |
| US-5157041-A | Viricides | HOFFMANN-LA ROCHE INC. (US) | 1992-10-20 | — | — | US | disclosed |
| EP-0346847-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-20 | — | — | EP | disclosed |