Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.35 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.35 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 4/20 | 0.34 |
| ▸ | HTR7 | P34969 | 4/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 3/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.33 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309463 | 1.00 | PDPK1 (0.41) | PDPK1ALDH1A1TSHREGFRFGFR1 | |
| SCHEMBL24309722 | 0.84 | HTR1A (0.38) | PDPK1ALDH1A1TSHREGFRFGFR1 | |
| SCHEMBL29566520 | 0.84 | HTR1A (0.38) | PDPK1ALDH1A1TSHREGFRFGFR1 | |
| SCHEMBL29567139 | 0.84 | PDPK1 (0.40) | PDPK1ALDH1A1TSHREGFRFGFR1 | |
| SCHEMBL24309462 | 0.84 | PDPK1 (0.40) | PDPK1ALDH1A1TSHREGFRFGFR1 | |
| SCHEMBL24310199 | 0.83 | PIK3CD (0.38) | PDPK1ALDH1A1EGFRFGFR1KDR | |
| SCHEMBL29566806 | 0.83 | PIK3CD (0.38) | PDPK1ALDH1A1EGFRFGFR1KDR | |
| SCHEMBL24310345 | 0.82 | TSHR (0.43) | ALDH1A1TSHREGFRFGFR1KDR | |
| SCHEMBL29566612 | 0.82 | TSHR (0.43) | ALDH1A1TSHREGFRFGFR1KDR | |
| SCHEMBL26806586 | 0.81 | TSHR (0.42) | ALDH1A1TSHREGFRFGFR1KDR |
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 |