Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.36 |
| ▸ | NOS2 | P35228 | 5/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DDO | Q99489 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14557688 | 0.84 | GABRA1 (0.39) | NOS1NOS2NOS3KDM4EMEN1 | |
| SCHEMBL18080782 | 0.78 | TBXAS1 (0.49) | KDM4EMEN1ALDH1A1LMNAKMT2A | |
| SCHEMBL18897150 | 0.78 | ADRB2 (0.39) | — | |
| SCHEMBL14983862 | 0.77 | CYP11B1 (0.39) | NOS1NOS2NOS3 | |
| SCHEMBL13534147 | 0.77 | GPR55 (0.35) | GABRA1GABRB2MAPT | |
| SCHEMBL18635707 | 0.76 | CTSD (0.33) | GABRA1GABRB2 | |
| SCHEMBL573755 | 0.76 | — | — | |
| SCHEMBL9927087 | 0.75 | CYP11B1 (0.38) | NOS1NOS2NOS3GABRA1GABRB2 | |
| SCHEMBL17000178 | 0.75 | CHRNB2 (0.40) | GABRA1GABRB2 | |
| SCHEMBL23559006 | 0.75 | GABRA1 (0.33) | GABRA1GABRB2 |
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-2022128850-A1 | NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2022-06-23 | — | — | WO | disclosed |