Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PCTP | Q9UKL6 | 1/20 | 0.38 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GPR27 | Q9NS67 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310316 | 1.00 | TSHR (0.45) | TSHRSMN1; SMN2PTGDR2GAAPKM | |
| SCHEMBL24309280 | 0.94 | TSHR (0.46) | TSHRSMN1; SMN2GAAPKMPCTP | |
| SCHEMBL29567236 | 0.94 | TSHR (0.46) | TSHRSMN1; SMN2GAAPKMPCTP | |
| SCHEMBL29567146 | 0.91 | TSHR (0.44) | TSHRSMN1; SMN2PTGDR2GAAPKM | |
| SCHEMBL24309276 | 0.91 | TSHR (0.44) | TSHRSMN1; SMN2PTGDR2GAAPKM | |
| SCHEMBL24310281 | 0.87 | FABP4 (0.40) | TSHRSMN1; SMN2POLBLMNAMEN1 | |
| SCHEMBL29566650 | 0.87 | FABP4 (0.40) | TSHRSMN1; SMN2POLBLMNAMEN1 | |
| SCHEMBL26807185 | 0.86 | TSHR (0.39) | TSHRSMN1; SMN2GAAPKMPOLB | |
| SCHEMBL29566728 | 0.85 | SRC (0.43) | TSHRSMN1; SMN2GAALMNANPSR1 | |
| SCHEMBL24310526 | 0.84 | PCTP (0.39) | TSHRSMN1; SMN2GAAPKMPCTP |
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 |