Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 3/20 | 0.46 |
| ▸ | HTR1D | P28221 | 8/20 | 0.43 |
| ▸ | HTR1B | P28222 | 8/20 | 0.43 |
| ▸ | HTR2A | P28223 | 5/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23249136 | 0.97 | HTR2A (0.43) | MPOHTR1DHTR1BHTR2AHTR2C | |
| SCHEMBL27296035 | 0.89 | MPO (0.45) | MPOHTR1DHTR1BHTR2AHTR1A | |
| SCHEMBL31089345 | 0.88 | PIK3R1 (0.49) | PIK3R1PIK3CA | |
| SCHEMBL30972910 | 0.87 | HTR1D (0.36) | MPOHTR1DHTR1BPIK3R1PIK3CA | |
| SCHEMBL27294746 | 0.83 | GRIN1 (0.35) | MPOPIK3R1PIK3CAAR | |
| SCHEMBL27297250 | 0.83 | PIK3R1 (0.34) | MPOPIK3R1PIK3CA | |
| SCHEMBL29725876 | 0.79 | GRIN1 (0.37) | MPOHTR2AHTR1APIK3R1PIK3CA | |
| SCHEMBL12649073 | 0.72 | HRH3 (0.53) | — | |
| SCHEMBL30972827 | 0.72 | CACNA1H (0.38) | HTR2AHTR2CPIK3R1PIK3CAAR | |
| SCHEMBL21459566 | 0.72 | HTR1A (0.42) | MPOHTR1DHTR1BHTR2AHTR2C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024175907-A1 | MACROCYCLIC ALPHA4BETA7 INTEGRIN INHIBITORS | C4X DISCOVERY LIMITED (GB) | 2024-08-29 | — | — | WO | disclosed |