Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MIF | P14174 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6701570 | 1.00 | ALDH1A1 (0.32) | ALDH1A1TRPA1CYP3A4MIFTSHR | |
| SCHEMBL20332448 | 0.72 | — | — | |
| SCHEMBL10930795 | 0.72 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL1479710 | 0.70 | — | — | |
| SCHEMBL1479711 | 0.70 | — | — | |
| SCHEMBL19968469 | 0.67 | TRPA1 (0.31) | TRPA1 | |
| SCHEMBL6697332 | 0.67 | MEN1 (0.33) | ALDH1A1 | |
| SCHEMBL6697335 | 0.67 | MEN1 (0.33) | ALDH1A1 | |
| SCHEMBL6701890 | 0.65 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL6701887 | 0.65 | ALDH1A1 (0.32) | ALDH1A1 |
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-20040242817-A1 | Internally coordinated organoboranes | LORD CORPORATION | 2004-12-02 | — | — | US | disclosed |