Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HEXA | P06865 | 1/20 | 0.38 |
| ▸ | HEXB | P07686 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309334 | 1.00 | SMN1; SMN2 (0.46) | SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL24309782 | 0.81 | ADORA2A (0.47) | SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL24309881 | 0.74 | ADORA2A (0.51) | SMN1; SMN2HPGDKDM4EHSP90AA1NPSR1 | |
| SCHEMBL24331481 | 0.73 | HEXA (0.41) | SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL29515334 | 0.73 | HEXA (0.41) | SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL16462552 | 0.72 | SMN1; SMN2 (0.53) | SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL12495474 | 0.70 | SMN1; SMN2 (0.46) | SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL11154581 | 0.69 | ADORA2A (0.47) | SMN1; SMN2HPGDALDH1A1KDM4EHSP90AA1 | |
| SCHEMBL3458103 | 0.67 | NPSR1 (0.50) | SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9 | |
| Propane SCHEMBL28061941 | 0.66 | TSHR (0.58) | SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9 |
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 |