Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 6/20 | 0.36 |
| ▸ | HTR7 | P34969 | 6/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | PARG | Q86W56 | 2/20 | 0.31 |
| ▸ | EDNRA | P25101 | 5/20 | 0.31 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL24287494 | 1.00 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL26813358 | 0.87 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL29516117 | 0.87 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL26813338 | 0.82 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL24287273 | 0.82 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL29516324 | 0.82 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL29516391 | 0.82 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL24287499 | 0.80 | — | — | |
| SCHEMBL26810510 | 0.76 | HTR1A (0.36) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL24309827 | 0.76 | HTR1A (0.43) | HTR1AHTR7DRD2HTR6THRB |
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-4225750-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076629-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |