Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL28336879 | 0.84 | CA2 (0.47) | ALDH1A1TSHRCA2L3MBTL1THRB | |
| Trifluoroacetic Acid SCHEMBL2435717 | 0.84 | CA2 (0.40) | ALDH1A1TSHRCA2L3MBTL1THRB | |
| Trifluoroacetic Acid SCHEMBL30872779 | 0.83 | ALDH1A1 (0.36) | ALDH1A1TSHRCA2NOS1NOS2 | |
| Trifluoroacetic Acid SCHEMBL6576795 | 0.80 | ALDH1A1 (0.38) | ALDH1A1TSHRCA2CYP2D6CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL28224030 | 0.79 | CA2 (0.36) | ALDH1A1TSHRCA2L3MBTL1NOS1 | |
| Trifluoroacetic Acid SCHEMBL6222069 | 0.79 | CA2 (0.36) | ALDH1A1TSHRCA2L3MBTL1THRB | |
| Trifluoroacetic Acid SCHEMBL28996861 | 0.79 | CA2 (0.36) | ALDH1A1TSHRCA2L3MBTL1THRB | |
| Trifluoroacetic Acid SCHEMBL31050235 | 0.79 | CA2 (0.36) | ALDH1A1TSHRCA2L3MBTL1NOS1 | |
| Pivalate SCHEMBL30235549 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TSHRCA2CYP2D6CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL2455122 | 0.78 | ALDH1A1 (0.56) | ALDH1A1TSHRCA2CYP2D6CYP2C19 |
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-1996012506-A1 | SENESCENT CELL-DERIVED INHIBITORS OF DNA SYNTHESIS | BAYLOR COLLEGE OF MEDECINE (US) | 1996-05-02 | — | — | WO | disclosed |