Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 12/20 | 0.39 |
| ▸ | HTR7 | P34969 | 12/20 | 0.39 |
| ▸ | DRD2 | P14416 | 5/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 4/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.32 |
| ▸ | PCK1 | P35558 | 1/20 | 0.32 |
| ▸ | SLC8A1 | P32418 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.31 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.31 |
| ▸ | CDK1 | P06493 | 2/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.31 |
| ▸ | CDK2 | P24941 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310759 | 1.00 | HTR1A (0.39) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL24309426 | 0.91 | HTR1A (0.42) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL29567055 | 0.87 | HTR1A (0.40) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL24309427 | 0.87 | HTR1A (0.40) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL29566521 | 0.85 | HTR1A (0.38) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL29566770 | 0.85 | BRD4 (0.36) | HTR1AHTR7DRD2HTR6SLC8A1 | |
| SCHEMBL24309993 | 0.85 | BRD4 (0.36) | HTR1AHTR7DRD2HTR6SLC8A1 | |
| SCHEMBL24310452 | 0.85 | HTR1A (0.38) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL26811975 | 0.84 | HTR1A (0.35) | HTR1AHTR7DRD2HTR6THRB | |
| SCHEMBL24309827 | 0.81 | 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-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 |