Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
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 SCHEMBL7815291 | 0.91 | CAMK2D (0.46) | ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL7815071 | 0.90 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| Trifluoroacetic Acid SCHEMBL8516860 | 0.90 | MEN1 (0.41) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| Trifluoroacetic Acid SCHEMBL8516660 | 0.88 | CFTR (0.46) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| Trifluoroacetic Acid SCHEMBL8362203 | 0.87 | CFTR (0.41) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| Trifluoroacetic Acid SCHEMBL7814551 | 0.87 | USP2 (0.53) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| Trifluoroacetic Acid SCHEMBL8365255 | 0.87 | MEN1 (0.42) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| Trifluoroacetic Acid SCHEMBL8516825 | 0.86 | CA12 (0.40) | ALDH1A1CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL8365741 | 0.86 | CA12 (0.43) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| Trifluoroacetic Acid SCHEMBL8516361 | 0.85 | KMT2A (0.46) | ALDH1A1CYP2C9CYP1A2HTTCYP3A4 |
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-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |