Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 10/20 | 0.39 |
| ▸ | HTR7 | P34969 | 10/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 3/20 | 0.33 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309834 | 1.00 | HTR1A (0.39) | HTR1AHTR7DRD2HTR6TSHR | |
| SCHEMBL26807637 | 0.99 | HTR1A (0.40) | HTR1AHTR7DRD2HTR6TSHR | |
| SCHEMBL29566649 | 0.88 | HTR1A (0.42) | HTR1AHTR7DRD2HTR6TSHR | |
| SCHEMBL26807354 | 0.88 | HTR1A (0.42) | HTR1AHTR7DRD2HTR6TSHR | |
| SCHEMBL26807484 | 0.87 | HTR1A (0.43) | HTR1AHTR7DRD2HTR6TSHR | |
| SCHEMBL29566828 | 0.86 | BRD4 (0.36) | HTR1AHTR7DRD2HTR6TSHR | |
| SCHEMBL24310339 | 0.86 | BRD4 (0.36) | HTR1AHTR7DRD2HTR6TSHR | |
| SCHEMBL24309983 | 0.86 | HTR1A (0.39) | HTR1AHTR7DRD2HTR6TSHR | |
| SCHEMBL26810543 | 0.85 | HTR1A (0.39) | HTR1AHTR7DRD2HTR6TSHR | |
| SCHEMBL24310322 | 0.84 | HTR1A (0.40) | HTR1AHTR7DRD2HTR6TSHR |
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 |