Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9557686 | 1.00 | ALDH1A1 (0.33) | ALDH1A1MAPTPTGS1SLC7A5TSHR | |
| SCHEMBL22921186 | 0.76 | ALDH1A1 (0.36) | ALDH1A1MAPTPTGS1SLC7A5TSHR | |
| SCHEMBL6362919 | 0.76 | ALDH1A1 (0.36) | ALDH1A1MAPTPTGS1SLC7A5TSHR | |
| SCHEMBL4553889 | 0.74 | ALDH1A1 (0.39) | ALDH1A1MAPTPTGS1SLC7A5TSHR | |
| SCHEMBL15917740 | 0.73 | CYP1A2 (0.39) | ALDH1A1MAPTPTGS1SLC7A5TSHR | |
| SCHEMBL4018610 | 0.71 | CYP1A2 (0.38) | ALDH1A1MAPTPTGS1TSHR | |
| SCHEMBL4021095 | 0.71 | CYP1A2 (0.38) | ALDH1A1MAPTPTGS1TSHR | |
| Acetic Acid SCHEMBL9130936 | 0.71 | ALDH1A1 (0.32) | ALDH1A1MAPTPTGS1SLC7A5TSHR | |
| SCHEMBL4831119 | 0.70 | ALDH1A1 (0.38) | ALDH1A1MAPTPTGS1SLC7A5TSHR | |
| SCHEMBL5176547 | 0.70 | ALDH1A1 (0.39) | ALDH1A1MAPTPTGS1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008098056-A2 | HIGH RELAXIVITY CHELATES | EPIX PHARMACEUTICALS, INC. (US) | 2008-08-14 | — | — | WO | disclosed |