Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | HCK | P08631 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.32 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.32 |
| ▸ | PRKDC | P78527 | 1/20 | 0.32 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 2/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.31 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30176976 | 0.76 | PDE4B (0.36) | PDE4BCYP1A2PDE10ATSHRALDH3A1 | |
| SCHEMBL23887931 | 0.76 | PDE4B (0.36) | PDE4BCYP1A2PDE10ATSHRALDH3A1 | |
| SCHEMBL30176953 | 0.69 | PDE4B (0.36) | PDE4B | |
| SCHEMBL23887974 | 0.69 | PDE4B (0.36) | PDE4B | |
| SCHEMBL21901135 | 0.68 | PIK3CA (0.31) | PIK3CA | |
| SCHEMBL25560993 | 0.68 | CACNA1H (0.40) | PDE4BPDE10A | |
| SCHEMBL23887995 | 0.67 | TLR8 (0.40) | SRCPIK3CA | |
| SCHEMBL30177050 | 0.67 | TLR8 (0.40) | SRCPIK3CA | |
| SCHEMBL21900954 | 0.66 | NOTUM (0.32) | PIK3CDPIK3CAPIK3CBPIK3CG | |
| SCHEMBL23886957 | 0.66 | PIK3CA (0.34) | PDE4BPIK3CA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021203010-A1 | PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2021-10-07 | — | — | WO | disclosed |