Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 3/20 | 0.38 |
| ▸ | ACACB | O00763 | 3/20 | 0.35 |
| ▸ | ACACA | Q13085 | 3/20 | 0.35 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 9/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 7/20 | 0.31 |
| ▸ | WNT1 | P04628 | 2/20 | 0.31 |
| ▸ | CLK2 | P49760 | 2/20 | 0.31 |
| ▸ | CLK3 | P49761 | 2/20 | 0.31 |
| ▸ | TTK | P33981 | 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 | |
|---|---|---|---|---|
| SCHEMBL23048883 | 0.78 | NNMT (0.36) | NNMTACACBACACAHCAR3DYRK1A | |
| SCHEMBL23048630 | 0.75 | HCAR3 (0.34) | NNMTACACBACACAHCAR3DYRK1A | |
| SCHEMBL23048641 | 0.75 | ACACB (0.32) | NNMTACACBACACAHCAR3DYRK1A | |
| SCHEMBL20938733 | 0.73 | NNMT (0.39) | NNMTACACBACACAHCAR3DYRK1A | |
| SCHEMBL23740894 | 0.73 | NNMT (0.36) | NNMTACACBACACAHCAR3DYRK1A | |
| SCHEMBL2671513 | 0.72 | HCAR3 (0.60) | NNMTACACBACACAHCAR3DYRK1A | |
| SCHEMBL24219047 | 0.71 | NNMT (0.37) | NNMTACACBACACAHCAR3DYRK1A | |
| SCHEMBL23740976 | 0.71 | HCAR3 (0.33) | NNMTACACBACACAHCAR3DYRK1A | |
| SCHEMBL23048669 | 0.71 | NNMT (0.38) | NNMTACACBACACAHCAR3DYRK1A | |
| SCHEMBL23740730 | 0.70 | NNMT (0.36) | NNMTACACBACACAHCAR3DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3448386-B1 | ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF | SAMUMED LLC (US) | 2021-03-03 | — | — | EP | disclosed |