Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL718259 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL5507778 | 0.88 | ALDH1A1 (0.37) | ALDH1A1HTTNPSR1HTR1AHTR2A | |
| SCHEMBL739597 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL3398632 | 0.80 | ALDH1A1 (0.31) | ALDH1A1HTTNPSR1KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL4119772 | 0.80 | ALDH1A1 (0.31) | ALDH1A1HTTNPSR1KDM4EHPGD | |
| SCHEMBL18228185 | 0.77 | CYP1A2 (0.44) | ALDH1A1KDM4EHPGD | |
| SCHEMBL1363715 | 0.77 | — | — | |
| SCHEMBL302276 | 0.77 | — | — | |
| SCHEMBL788760 | 0.77 | — | — | |
| SCHEMBL2017204 | 0.76 | — | — |
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-1307204-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2004-06-02 | — | — | EP | disclosed |
| EP-1307204-A1 | PROTEASE INHIBITORS | SmithKline Beecham Corporation (US) | 2003-05-07 | — | — | EP | disclosed |
| WO-2001095911-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2001-12-20 | — | — | WO | disclosed |