Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22117229 | 1.00 | CA1 (0.34) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL22117213 | 0.98 | CA2 (0.32) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL22117270 | 0.91 | TSHR (0.41) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL22117222 | 0.91 | TSHR (0.41) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL22117205 | 0.91 | TSHR (0.36) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL22117251 | 0.91 | TSHR (0.41) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL22117190 | 0.91 | TSHR (0.36) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL22117284 | 0.91 | TSHR (0.41) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL22117235 | 0.91 | TSHR (0.41) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL22117201 | 0.91 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0778264-B1 | Tertiary amines having antimycotic and cholesterol lowering activity | HOFFMANN LA ROCHE (CH) | 2001-07-11 | — | — | EP | disclosed |