Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | CA2 | P00918 | 4/20 | 0.33 |
| ▸ | CA5A | P35218 | 4/20 | 0.33 |
| ▸ | CA7 | P43166 | 4/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | AOC2 | O75106 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | NCOR2 | Q9Y618 | 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 SCHEMBL30320106 | 1.00 | CYP2D6 (0.38) | CYP2D6CA1CA2CA5ACA7 | |
| SCHEMBL26149664 | 0.89 | CYP2D6 (0.43) | CYP2D6CA1CA2CA5ACA7 | |
| Trifluoroacetic Acid SCHEMBL30147380 | 0.84 | CYP4F2 (0.34) | CYP2D6ALDH1A1CES1 | |
| Trifluoroacetic Acid SCHEMBL30320103 | 0.83 | L3MBTL1 (0.37) | CYP2D6CA1CA2CA5ACA7 | |
| Trifluoroacetic Acid SCHEMBL23326584 | 0.77 | CYP1A2 (0.39) | CYP2D6CYP1A2CYP3A4CYP2C9AOC2 | |
| Trifluoroacetic Acid SCHEMBL23326582 | 0.74 | CYP1A2 (0.36) | CYP2D6CYP1A2CYP3A4CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL23326904 | 0.74 | CYP1A2 (0.37) | CYP2D6CYP1A2CYP3A4CYP2C9AOC2 | |
| Trifluoroacetic Acid SCHEMBL21632234 | 0.74 | ALDH1A1 (0.36) | CYP2D6CYP1A2CYP3A4CYP2C9AOC2 | |
| Trifluoroacetic Acid SCHEMBL30216950 | 0.73 | ACHE (0.34) | CYP2D6CYP1A2CYP3A4CYP2C9AOC2 | |
| Trifluoroacetic Acid SCHEMBL30216947 | 0.73 | SMN1; SMN2 (0.44) | 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 |
|---|---|---|---|---|---|---|---|
| EP-4154009-A1 | REAGENT FOR MASS SPECTROMETRY | F. Hoffmann-La Roche AG (CH) | 2023-03-29 | — | — | EP | disclosed |