Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | TRPV4 | Q9HBA0 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6983084 | 1.00 | HCRTR1 (0.40) | HCRTR1HCRTR2ALDH1A1MAPTSLC6A9 | |
| SCHEMBL6983085 | 1.00 | HCRTR1 (0.40) | HCRTR1HCRTR2ALDH1A1MAPTSLC6A9 | |
| SCHEMBL6984332 | 0.85 | HRH3 (0.43) | HCRTR2ALDH1A1SLC6A9SLC6A4SLC6A3 | |
| SCHEMBL6984336 | 0.85 | HRH3 (0.43) | HCRTR2ALDH1A1SLC6A9SLC6A4SLC6A3 | |
| SCHEMBL6984339 | 0.85 | HRH3 (0.43) | HCRTR2ALDH1A1SLC6A9SLC6A4SLC6A3 | |
| SCHEMBL6984369 | 0.81 | F10 (0.43) | — | |
| SCHEMBL6984364 | 0.81 | F10 (0.43) | — | |
| SCHEMBL6979297 | 0.80 | F10 (0.49) | — | |
| SCHEMBL6979303 | 0.80 | F10 (0.49) | — | |
| SCHEMBL6979292 | 0.80 | F10 (0.49) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934265-B1 | AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2003-01-02 | — | — | EP | disclosed |
| US-6057342-A | INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR XA, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS | DUPONT PHARMACEUTICAL CO. (US) | 2000-05-02 | — | — | US | disclosed |