Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL9293271 | 0.79 | — | — | |
| SCHEMBL2300730 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL28267901 | 0.72 | ALDH1A1 (0.45) | ALDH1A1HSD17B10HPGDCA2CA5A | |
| SCHEMBL28571254 | 0.72 | — | — | |
| SCHEMBL9293266 | 0.72 | — | — | |
| SCHEMBL28421938 | 0.70 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HPGDCA2CA5A | |
| SCHEMBL438395 | 0.64 | — | — | |
| SCHEMBL16833520 | 0.63 | — | — | |
| SCHEMBL4956404 | 0.61 | — | — | |
| SCHEMBL653171 | 0.60 | — | — |
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-2407448-A2 | Processes and intermediates for preparing steric compounds | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-18 | — | — | EP | disclosed |
| EP-1993993-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS | Vertex Pharmaceuticals Incorporated (US) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007109023-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING STERIC COMPOUNDS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-27 | — | — | WO | disclosed |