Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2991614 | 1.00 | PTGS1 (0.34) | PTGS1TP53TSHRALDH1A1ALOX15 | |
| SCHEMBL2991609 | 1.00 | PTGS1 (0.34) | PTGS1TP53TSHRALDH1A1ALOX15 | |
| SCHEMBL16669623 | 0.79 | — | — | |
| SCHEMBL2992746 | 0.79 | TSHR (0.31) | TSHR | |
| SCHEMBL16670099 | 0.79 | — | — | |
| SCHEMBL16669622 | 0.79 | — | — | |
| SCHEMBL2992750 | 0.79 | TSHR (0.31) | TSHR | |
| SCHEMBL4258914 | 0.77 | PTGS1 (0.40) | PTGS1 | |
| SCHEMBL800041 | 0.77 | — | — | |
| SCHEMBL3161915 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2173698-A2 | PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF RENIN INHIBITORS SUCH AS ALISKIREN | Novartis Ag (CH) | 2010-04-14 | — | — | EP | disclosed |
| WO-2008155338-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2008-12-24 | — | — | WO | disclosed |