Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7718951 | 0.81 | ALDH1A1 (0.42) | TDP1ALDH1A1PPARDTSHRGAA | |
| SCHEMBL8069890 | 0.73 | — | — | |
| SCHEMBL6885827 | 0.73 | ALDH1A1 (0.50) | TDP1ALDH1A1 | |
| SCHEMBL22129546 | 0.72 | FDPS (0.47) | CYP3A4 | |
| SCHEMBL7894086 | 0.72 | — | — | |
| SCHEMBL3905072 | 0.71 | PPARD (0.39) | TDP1ALDH1A1PPARDTSHRTP53 | |
| SCHEMBL13334734 | 0.71 | GAA (0.40) | TDP1ALDH1A1PPARDTSHRGAA | |
| SCHEMBL7718880 | 0.71 | L3MBTL1 (0.42) | TDP1ALDH1A1TSHRGAACYP2C9 | |
| SCHEMBL11598870 | 0.70 | TSHR (0.42) | TDP1ALDH1A1PPARDTSHRGAA | |
| SCHEMBL10389567 | 0.69 | PPARD (0.38) | TDP1PPARDTSHRGAATP53 |
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-5861107-A | ESTER INTERCHANGE OF 1,3-PROPANEDIOL COMPOUNDS WITH CARBONIC ACID ESTERS; DISTILLATIVE DEPOLYMERIZATION; CATALYSIS WITH TITANIUM OR ZIRCONIUM COMPOUND; PHOSPHORUS OR SULFUR COMPOUND STABILIZER | BAYER AKTIENGESELLSCHAFT (DE) | 1999-01-19 | — | — | US | disclosed |