Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL28694451 | 0.81 | NPC1 (0.31) | — | |
| SCHEMBL29733682 | 0.79 | — | — | |
| SCHEMBL5477964 | 0.79 | — | — | |
| SCHEMBL28557438 | 0.76 | RORC (0.32) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL30367475 | 0.75 | HSP90AA1 (0.43) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL28576876 | 0.74 | RORC (0.33) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL3268199 | 0.73 | NPC1 (0.34) | — | |
| SCHEMBL29367588 | 0.73 | NPC1 (0.34) | — | |
| SCHEMBL30375701 | 0.73 | NPC1 (0.34) | — | |
| SCHEMBL2356488 | 0.73 | HSP90AA1 (0.41) | CYP1A2CYP3A4CYP2C9TSHRCYP2C19 |
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-2007056556-A2 | POLYETHYLENE GLYCOL CONJUGATES OF PYRIDINIUM AND THIAZOLIUM COMPOUNDS AND METHODS OF USING THE SAME | MYCOSOL, INC. (US) | 2007-05-18 | — | — | WO | disclosed |