Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1815828 | 0.83 | ALDH1A1 (0.39) | SMN1; SMN2HSD11B1CA2P2RX7LMNA | |
| SCHEMBL1813351 | 0.80 | ALDH1A1 (0.38) | SMN1; SMN2HSD11B1CA2P2RX7LMNA | |
| SCHEMBL1813604 | 0.80 | ALDH1A1 (0.38) | SMN1; SMN2HSD11B1CA2P2RX7LMNA | |
| SCHEMBL6582792 | 0.77 | CA2 (0.44) | CA2CA1CA5ACA9KIF11 | |
| SCHEMBL7191759 | 0.76 | TAS2R14 (0.42) | SMN1; SMN2HSD11B1CA2CA1CA5A | |
| SCHEMBL363301 | 0.75 | CA1 (0.54) | SMN1; SMN2HSD11B1CA2CA1CA5A | |
| SCHEMBL14127381 | 0.75 | CA1 (0.54) | SMN1; SMN2HSD11B1CA2CA1CA5A | |
| SCHEMBL29447944 | 0.75 | CA1 (0.54) | SMN1; SMN2HSD11B1CA2CA1CA5A | |
| SCHEMBL899344 | 0.74 | ULK1 (0.40) | SMN1; SMN2HSD11B1CA2CA1CA5A | |
| SCHEMBL20078218 | 0.74 | HSD11B1 (0.38) | SMN1; SMN2HSD11B1CA2P2RX7L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115490622-A | Trifluoromethyl thiophenol compound | 上海泰初化工技术有限公司 | 2022-12-20 | — | — | CN | disclosed |
| WO-2005019200-A2 | ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |