Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | NMT1 | P30419 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.33 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.32 |
| ▸ | SRC | P12931 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24310116 | 1.00 | HTR6 (0.34) | HTR6PIK3CDPIK3CBMTORPIK3CG | |
| SCHEMBL29566654 | 0.88 | NMT1 (0.37) | HTR6PIK3CDPIK3CBMTORPIK3CG | |
| SCHEMBL24310059 | 0.88 | NMT1 (0.37) | HTR6PIK3CDPIK3CBMTORPIK3CG | |
| SCHEMBL24310148 | 0.85 | MKNK1 (0.31) | HTR7MKNK1 | |
| SCHEMBL26810218 | 0.84 | KMT2A (0.40) | GPR119TSHRSMN1; SMN2 | |
| SCHEMBL26810235 | 0.84 | CACNA1B (0.34) | HTR6PIK3CDPIK3CBMTORPIK3CG | |
| SCHEMBL29566254 | 0.84 | TSHR (0.35) | PIK3CDPIK3CBMTORPIK3CGCCNT1 | |
| SCHEMBL24310549 | 0.83 | ACLY (0.38) | GPR119TSHRSMN1; SMN2 | |
| SCHEMBL29566982 | 0.83 | ACLY (0.38) | GPR119TSHRSMN1; SMN2 | |
| SCHEMBL26856825 | 0.83 | MKNK1 (0.38) | HTR6PIK3CDPIK3CBMTORPIK3CG |
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 |