Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL72728 | 0.93 | CYP3A4 (0.41) | HPGDCA1CA9CYP3A4CYP2D6 | |
| SCHEMBL13872437 | 0.93 | CYP3A4 (0.41) | HPGDCA1CA9CYP3A4CYP2D6 | |
| SCHEMBL2343860 | 0.93 | CYP3A4 (0.41) | HPGDCA1CA9CYP3A4CYP2D6 | |
| SCHEMBL10338630 | 0.93 | CYP3A4 (0.41) | HPGDCA1CA9CYP3A4CYP2D6 | |
| SCHEMBL12517674 | 0.92 | CYP2D6 (0.40) | HPGDCA2CA1CA9CYP3A4 | |
| SCHEMBL18121292 | 0.89 | CA2 (0.50) | HPGDCA2CA1CA9CYP3A4 | |
| SCHEMBL18091409 | 0.89 | CA2 (0.50) | HPGDCA2CA1CA9CYP3A4 | |
| SCHEMBL20345392 | 0.89 | CA2 (0.50) | HPGDCA2CA1CA9CYP3A4 | |
| SCHEMBL7768964 | 0.88 | CA2 (0.40) | HPGDCA2CA1CA9CYP3A4 | |
| SCHEMBL16488733 | 0.87 | CYP3A4 (0.39) | HPGDCA1CA9CYP3A4CYP2D6 |
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-0741128-B1 | Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls | HOFFMANN LA ROCHE (CH) | 2001-06-20 | — | — | EP | disclosed |
| US-5830920-A | PREVENTION GROWTH OF SMOOTH MUSCLE CELLS | HOFFMANN-LA ROCHE INC. (US) | 1998-11-03 | — | — | US | disclosed |
| EP-0741128-A2 | Sulphuric acid esters of sugar alcohols for the inhibition of the migration and proliferation of smooth muscle cells of the vascular walls | F. HOFFMANN-LA ROCHE AG (CH) | 1996-11-06 | — | — | EP | disclosed |