Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL16622922 | 0.85 | ALDH1A1 (0.41) | ALDH1A1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL26478906 | 0.82 | ZDHHC20 (0.46) | ALDH1A1CYP3A4TSHRHPGD | |
| SCHEMBL15448777 | 0.81 | DGKA (0.40) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL2032975 | 0.80 | TSHR (0.55) | ALDH1A1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL583346 | 0.79 | TSHR (0.37) | ALDH1A1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL14007854 | 0.79 | TSHR (0.51) | ALDH1A1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL26478900 | 0.75 | TSHR (0.38) | ALDH1A1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL30780832 | 0.72 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL22702010 | 0.72 | PKM (0.44) | ALDH1A1CYP3A4TSHRCYP2C9CYP2C19 | |
| SCHEMBL2034001 | 0.71 | THRB (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2315741-B1 | REACTIVE LIQUID MODIFIERS | 3M INNOVATIVE PROPERTIES CO (US) | 2015-04-08 | — | — | EP | disclosed |