Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 5/20 | 0.41 |
| ▸ | HTR7 | P34969 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GPR39 | O43194 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310345 | 1.00 | TSHR (0.43) | TSHRSMN1; SMN2HTR1AHTR7KDM4E | |
| SCHEMBL26810050 | 0.94 | HTR1A (0.42) | TSHRSMN1; SMN2HTR1AHTR7KDM4E | |
| SCHEMBL26810238 | 0.92 | SMN1; SMN2 (0.38) | TSHRSMN1; SMN2HTR1AHTR7KDM4E | |
| SCHEMBL26810218 | 0.92 | KMT2A (0.40) | TSHRSMN1; SMN2KDM4EALDH1A1MAPT | |
| SCHEMBL29566748 | 0.92 | GAA (0.40) | TSHRSMN1; SMN2HTR1AHTR7KDM4E | |
| SCHEMBL24310086 | 0.92 | GAA (0.40) | TSHRSMN1; SMN2HTR1AHTR7KDM4E | |
| SCHEMBL29566838 | 0.91 | GFER (0.39) | TSHRSMN1; SMN2HTR1AHTR7LMNA | |
| SCHEMBL24310039 | 0.91 | GFER (0.39) | TSHRSMN1; SMN2HTR1AHTR7LMNA | |
| SCHEMBL26857058 | 0.91 | TSHR (0.36) | TSHRSMN1; SMN2HTR1AHTR7GPR39 | |
| SCHEMBL24309574 | 0.90 | BRD4 (0.41) | TSHRSMN1; SMN2HTR1AHTR7HSD17B10 |
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 |