Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL17323020 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TSHRTHRB | |
| SCHEMBL7056848 | 0.94 | — | — | |
| SCHEMBL6377644 | 0.88 | TDP1 (0.32) | — | |
| SCHEMBL5940287 | 0.88 | TDP1 (0.32) | — | |
| SCHEMBL4597272 | 0.85 | — | — | |
| SCHEMBL24347602 | 0.83 | HSD17B10 (0.33) | TSHRTHRB | |
| SCHEMBL17536104 | 0.83 | HSD17B10 (0.33) | TSHRTHRB | |
| SCHEMBL17323021 | 0.83 | HSD17B10 (0.33) | TSHRTHRB | |
| SCHEMBL10049122 | 0.80 | — | — | |
| SCHEMBL833620 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8558019-B2 | Thiolated paclitaxels for reaction with gold nanoparticles as drug delivery agents | VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) | 2013-10-15 | — | — | US | disclosed |