Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 3/20 | 0.47 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.45 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PTGFR | P43088 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9014669 | 0.84 | SMN1; SMN2 (0.44) | SLC9A1SLC9A2SMN1; SMN2PKMCYP1A2 | |
| SCHEMBL8647605 | 0.81 | SLC9A1 (0.72) | SLC9A1SLC9A2 | |
| SCHEMBL3968070 | 0.81 | SLC9A1 (0.64) | ACE2SLC9A1SLC9A2NPSR1CDC25B | |
| SCHEMBL15641748 | 0.81 | ACE2 (0.51) | ACE2SLC9A1SLC9A2NPSR1CDC25B | |
| SCHEMBL31587739 | 0.80 | ACE2 (0.50) | ACE2SLC9A1SLC9A2NPSR1CDC25B | |
| SCHEMBL2421238 | 0.80 | PKM (0.58) | ACE2SLC9A1SLC9A2NPSR1CDC25B | |
| SCHEMBL3971731 | 0.80 | ACE2 (0.50) | ACE2SLC9A1SLC9A2NPSR1CDC25B | |
| SCHEMBL8647598 | 0.79 | SLC9A1 (0.44) | SLC9A1SLC9A2CNR2 | |
| SCHEMBL22428664 | 0.78 | FABP3 (0.37) | SLC9A1SLC9A2SMN1; SMN2KMT2ATDP1 | |
| SCHEMBL11818094 | 0.78 | CDC25B (0.46) | CDC25BSMN1; SMN2KMT2APTK2BPKM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |