Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 3/20 | 0.35 |
| ▸ | JAK1 | P23458 | 3/20 | 0.35 |
| ▸ | TYK2 | P29597 | 3/20 | 0.35 |
| ▸ | JAK3 | P52333 | 3/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.35 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 2/20 | 0.33 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309320 | 1.00 | HCRTR1 (0.35) | HCRTR1JAK2JAK1TYK2JAK3 | |
| SCHEMBL29566556 | 0.91 | HTR1A (0.41) | HTR6ALDH1A1HTR1ADRD2DRD4 | |
| SCHEMBL24309483 | 0.91 | HTR1A (0.41) | HTR6ALDH1A1HTR1ADRD2DRD4 | |
| SCHEMBL29566946 | 0.89 | ALDH1A1 (0.36) | HCRTR1JAK2JAK1TYK2JAK3 | |
| SCHEMBL26808181 | 0.89 | ALDH1A1 (0.36) | HCRTR1JAK2JAK1TYK2JAK3 | |
| SCHEMBL26811536 | 0.87 | ALK (0.33) | HCRTR1JAK2JAK1TYK2JAK3 | |
| SCHEMBL29567367 | 0.83 | HTR6 (0.35) | HTR6EGFRALDH1A1HTR1ADRD2 | |
| SCHEMBL24310029 | 0.83 | HTR6 (0.35) | HTR6EGFRALDH1A1HTR1ADRD2 | |
| SCHEMBL24310061 | 0.82 | HTR1A (0.38) | HTR6EGFRALDH1A1HTR1ADRD2 | |
| SCHEMBL29566917 | 0.82 | HTR1A (0.38) | HTR6EGFRALDH1A1HTR1ADRD2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4225748-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |