Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.71 |
| ▸ | CA2 | P00918 | 4/20 | 0.71 |
| ▸ | DHFR | P00374 | 2/20 | 0.67 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL22758022 | 1.00 | CA1 (0.71) | CA1CA2DHFRADORA2BALDH1A1 | |
| SCHEMBL31383367 | 1.00 | CA1 (0.71) | CA1CA2DHFRADORA2BALDH1A1 | |
| SCHEMBL14164087 | 0.91 | CA1 (0.78) | CA1CA2DHFRADORA2BALDH1A1 | |
| SCHEMBL22758025 | 0.87 | POLB (0.67) | ADORA2BALDH1A1KMT2APOLBLMNA | |
| SCHEMBL31383368 | 0.87 | POLB (0.67) | ADORA2BALDH1A1KMT2APOLBLMNA | |
| SCHEMBL22748855 | 0.84 | SMN1; SMN2 (0.48) | CA1CA2DHFRADORA2BALDH1A1 | |
| SCHEMBL10113419 | 0.83 | CA1 (1.00) | CA1CA2DHFRADORA2BALDH1A1 | |
| SCHEMBL7693837 | 0.81 | CA1 (0.74) | CA1CA2DHFRADORA2BALDH1A1 | |
| SCHEMBL14164088 | 0.81 | CA1 (0.78) | CA1CA2DHFRADORA2BALDH1A1 | |
| SCHEMBL14164092 | 0.81 | CA1 (0.78) | CA1CA2DHFRADORA2BALDH1A1 |
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-2020245246-A1 | ALTERNATIVE PROCESS FOR THE PREPARATION OF 4-PHENYL-5-ALKOXYCARBONYL-2-THIAZOL-2-YL-1,4-DIHYDROPYRIMIDIN-6-YL]METHYL]-3-OXO-5,6,8,8A-TETRAHYDRO-1H-IMIDAZO[1,5-A]PYRAZIN-2-YL]-CARBOXYLIC ACID | F. HOFFMANN-LA ROCHE AG (CH) | 2020-12-10 | — | — | WO | disclosed |