Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 3/20 | 0.34 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.34 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 7/20 | 0.34 |
| ▸ | HTR6 | P50406 | 4/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310080 | 1.00 | HTR1A (0.36) | HTR1ADRD2DRD4HTR2AHTR2C | |
| SCHEMBL29566988 | 0.94 | BRD9 (0.36) | HTR1ADRD2DRD4HTR2AHTR2C | |
| SCHEMBL24310146 | 0.94 | BRD9 (0.36) | HTR1ADRD2DRD4HTR2AHTR2C | |
| SCHEMBL26811591 | 0.93 | HTR6 (0.38) | HTR1ADRD2DRD4HTR2AHTR2C | |
| SCHEMBL29566944 | 0.93 | HTR1A (0.36) | HTR1ADRD2DRD4HTR2AHTR2C | |
| SCHEMBL26808935 | 0.93 | HTR1A (0.36) | HTR1ADRD2DRD4HTR2AHTR2C | |
| SCHEMBL29566946 | 0.92 | ALDH1A1 (0.36) | HTR1AHTR7HTR6LMNAMAPT | |
| SCHEMBL26808181 | 0.92 | ALDH1A1 (0.36) | HTR1AHTR7HTR6LMNAMAPT | |
| SCHEMBL26811579 | 0.92 | HTR1A (0.35) | HTR1ADRD2DRD4HTR2AHTR2C | |
| SCHEMBL26811572 | 0.92 | HTR1A (0.35) | HTR1ADRD2DRD4HTR2AHTR2C |
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 |