Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL10819874 | 0.82 | TDP1 (0.44) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL3072338 | 0.78 | TDP1 (0.32) | — | |
| SCHEMBL15625124 | 0.77 | DGAT1 (0.42) | — | |
| SCHEMBL18741256 | 0.77 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL1576926 | 0.75 | DGAT1 (0.45) | — | |
| SCHEMBL2514266 | 0.74 | TDP1 (0.35) | — | |
| SCHEMBL16647560 | 0.74 | — | — | |
| SCHEMBL17635362 | 0.74 | CYP4F2 (0.43) | TSHRALDH1A1CYP2D6 | |
| SCHEMBL29264722 | 0.74 | TSHR (0.50) | TSHRALDH1A1HIF1A | |
| SCHEMBL12149865 | 0.73 | RIPK1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015181624-A2 | NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF CANCER | IDENIX PHARMACEUTICALS, INC (US) | 2015-12-03 | — | — | WO | disclosed |
| EP-2307434-B1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS | IDENIX PHARMACEUTICALS INC (US) | 2014-02-12 | — | — | EP | disclosed |