Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | DUSP1 | P28562 | 1/20 | 0.45 |
| ▸ | DUSP6 | Q16828 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | PTPRF | P10586 | 1/20 | 0.38 |
| ▸ | CDC25B | P30305 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3702992 | 0.98 | BCHE (0.56) | BCHEACHEDUSP1DUSP6TP53 | |
| Hydrochloric Acid SCHEMBL6863833 | 0.98 | BCHE (0.51) | BCHEACHEDUSP1DUSP6TP53 | |
| SCHEMBL7127619 | 0.83 | P2RX7 (0.40) | BCHEACHEALDH1A1P2RX7S100A4 | |
| Hydrochloric Acid SCHEMBL7120126 | 0.82 | P2RX7 (0.39) | BCHEACHEALDH1A1P2RX7S100A4 | |
| SCHEMBL2187398 | 0.77 | ACHE (0.47) | BCHEACHEDUSP1DUSP6TP53 | |
| SCHEMBL7126444 | 0.76 | MAOA (0.51) | BCHEACHETP53CYP3A4ALDH1A1 | |
| SCHEMBL18988275 | 0.75 | S100A4 (0.44) | TP53CYP1A2CYP3A4LMNAALDH1A1 | |
| SCHEMBL29908700 | 0.75 | S100A4 (0.44) | TP53CYP1A2CYP3A4LMNAALDH1A1 | |
| SCHEMBL2404815 | 0.75 | SLC6A2 (0.44) | P2RX7S100A4ADORA3ARHSD11B1 | |
| Hydrochloric Acid SCHEMBL7117163 | 0.75 | MAOA (0.50) | BCHEACHETP53CYP3A4ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873301-B1 | INDANE COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTI-INFLAMMATORY ACTIVITY | VENANTIUS LTD (IE) | 2004-02-25 | — | — | EP | claimed |
| US-6297399-B1 | HYPOTENSIVE AGENTS | VENANTIUS LIMITED (IE) | 2001-10-02 | — | — | US | claimed |
| EP-0873301-B1 | INDANE COMPOUNDS WITH SMOOTH MUSCLE RELAXING AND/OR MAST CELL STABILISING AND/OR ANTI-INFLAMMATORY ACTIVITY | VENANTIUS LTD (IE) | 2004-02-25 | — | — | EP | disclosed |
| US-6297399-B1 | HYPOTENSIVE AGENTS | VENANTIUS LIMITED (IE) | 2001-10-02 | — | — | US | disclosed |