Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 6/20 | 0.35 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KHK | P50053 | 2/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24324615 | 1.00 | SMPD3 (0.41) | SMPD3ADORA2AADORA1KDM4EMAPT | |
| SCHEMBL29600540 | 0.96 | MAPT (0.41) | SMPD3ADORA2AADORA1KDM4EMAPT | |
| SCHEMBL24324092 | 0.96 | MAPT (0.41) | SMPD3ADORA2AADORA1KDM4EMAPT | |
| SCHEMBL20436549 | 0.79 | PDE10A (0.48) | SMPD3KDM4EMAPTL3MBTL1PDE10A | |
| SCHEMBL24270217 | 0.77 | PDE10A (0.42) | SMPD3ADORA2AADORA1KDM4EMAPT | |
| SCHEMBL24270218 | 0.77 | PDE10A (0.42) | SMPD3ADORA2AADORA1KDM4EMAPT | |
| SCHEMBL24324008 | 0.73 | SMPD3 (0.41) | SMPD3ADORA2AADORA1KDM4EMAPT | |
| SCHEMBL1326312 | 0.73 | ALDH1A1 (0.44) | SMPD3KDM4EMAPTL3MBTL1PIM1 | |
| SCHEMBL24324614 | 0.72 | ADORA2A (0.39) | SMPD3ADORA2AADORA1KDM4EALDH1A1 | |
| SCHEMBL29600599 | 0.72 | ADORA2A (0.39) | SMPD3ADORA2AADORA1KDM4EALDH1A1 |
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-4225765-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076622-A2 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |