Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 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 | |
|---|---|---|---|---|
| SCHEMBL1120061 | 1.00 | ALDH1A1 (0.33) | ALDH1A1GAACYP2D6CYP2C19TSHR | |
| SCHEMBL3281621 | 1.00 | ALDH1A1 (0.33) | ALDH1A1GAACYP2D6CYP2C19TSHR | |
| SCHEMBL30890693 | 0.81 | GABRP (0.33) | ALDH1A1GAACYP2D6CYP2C19 | |
| SCHEMBL9484445 | 0.80 | ALDH1A1 (0.35) | ALDH1A1TSHRCTSK | |
| SCHEMBL1657294 | 0.80 | ALDH1A1 (0.35) | ALDH1A1TSHRCTSK | |
| SCHEMBL5464777 | 0.80 | ALDH1A1 (0.35) | ALDH1A1TSHRCTSK | |
| SCHEMBL8587141 | 0.78 | NPC1 (0.34) | ALDH1A1TSHR | |
| SCHEMBL29160549 | 0.78 | ALDH1A1 (0.40) | ALDH1A1CYP2D6CYP2C19CTSK | |
| SCHEMBL24613012 | 0.76 | PAX8 (0.30) | — | |
| SCHEMBL881290 | 0.76 | TDP1 (0.36) | CTSK |
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-2010138488-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-12-02 | — | — | WO | disclosed |