Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL27837286 | 0.98 | ALDH1A1 (0.33) | SLC6A3SLC6A4MAPTALDH1A1ACHE | |
| SCHEMBL27855317 | 0.98 | ALDH1A1 (0.33) | SLC6A3SLC6A4MAPTALDH1A1ACHE | |
| SCHEMBL27855249 | 0.96 | POLB (0.31) | SLC6A3SLC6A4DRD2DRD3HRH3 | |
| SCHEMBL9821152 | 0.82 | POLB (0.38) | SLC6A3SLC6A4HRH3 | |
| SCHEMBL9173933 | 0.79 | DRD2 (0.35) | MAPTALDH1A1DRD2DRD3HRH3 | |
| Water SCHEMBL28471103 | 0.79 | SLC6A3 (0.38) | SLC6A3SLC6A4ALDH1A1HRH3 | |
| SCHEMBL27417234 | 0.78 | SLC6A4 (0.36) | SLC6A3SLC6A4 | |
| SCHEMBL3307691 | 0.78 | SLC6A4 (0.40) | SLC6A3SLC6A4ALDH1A1HRH3 | |
| SCHEMBL151379 | 0.77 | SLC6A2 (0.38) | SLC6A3MAPT | |
| SCHEMBL19334589 | 0.76 | SLC6A4 (0.39) | SLC6A3SLC6A4ALDH1A1HRH3 |
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-4076670-A1 | SOLID FORMS OF 2-[3-[4-AMINO-3-(2-FLUORO-4-PHENOXY-PHENYL)PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]PIPERIDINE-1-CARBONYL]-4-METHYL-4-[4-(OXETAN-3-YL)PIPERAZIN-1-YL]PENT-2-ENENITRILE | PRINCIPIA BIOPHARMA INC. (US) | 2022-10-26 | — | — | EP | disclosed |