Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CTSS | P25774 | 11/20 | 0.49 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7339296 | 0.87 | GAA (0.64) | GAAPOLBCTSSCAPN1CYP2C19 | |
| SCHEMBL6618585 | 0.87 | GAA (0.64) | GAAPOLBCTSSCAPN1CYP2C19 | |
| SCHEMBL6658789 | 0.83 | POLB (0.49) | GAAPOLBCTSSCAPN1 | |
| SCHEMBL6185808 | 0.82 | CTSS (0.75) | GAACTSSCAPN1 | |
| SCHEMBL6664135 | 0.76 | PSMB1 (0.60) | GAAALDH1A1 | |
| SCHEMBL805882 | 0.75 | PKM (0.60) | POLBCYP2C19KDM4EALDH1A1KDM4C | |
| SCHEMBL24568671 | 0.74 | KDM4E (0.66) | GAAPOLBCYP2C19KDM4EALDH1A1 | |
| SCHEMBL7340556 | 0.74 | GAA (0.56) | GAAPOLBCTSSCYP2C19 | |
| SCHEMBL7340561 | 0.74 | GAA (0.56) | GAAPOLBCTSSCYP2C19 | |
| SCHEMBL3966807 | 0.72 | GAA (0.62) | GAAPOLBCTSSCAPN1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1067894-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1067894-A2 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2001-01-17 | — | — | EP | disclosed |
| WO-1999059526-A2 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-11-25 | — | — | WO | disclosed |