Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RBP4 | P02753 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL805504 | 0.86 | SMYD3 (0.47) | SMYD3L3MBTL1CSF1RSLC6A7NPC1 | |
| SCHEMBL11918962 | 0.85 | SMN1; SMN2 (0.49) | SMYD3CSF1RNPC1RAB9AHPGD | |
| SCHEMBL11919148 | 0.82 | CFTR (0.45) | SMYD3L3MBTL1CSF1RHPGD | |
| SCHEMBL22972208 | 0.74 | L3MBTL1 (0.75) | L3MBTL1EPHX2HPGDRBP4 | |
| SCHEMBL2677778 | 0.73 | SMYD3 (0.54) | SMYD3L3MBTL1NPC1RAB9A | |
| SCHEMBL22840323 | 0.72 | NPC1 (0.50) | L3MBTL1HRH3NPC1RAB9AHPGD | |
| SCHEMBL25187614 | 0.72 | HRH3 (0.35) | SMYD3HCRTR1HCRTR2CSF1RHRH3 | |
| SCHEMBL12257113 | 0.72 | RAB9A (0.50) | NPC1RAB9AHPGD | |
| SCHEMBL221963 | 0.71 | ALDH1A1 (0.55) | SMYD3L3MBTL1 | |
| SCHEMBL6173009 | 0.71 | SMYD3 (0.51) | SMYD3L3MBTL1NPC1RAB9A |
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-2021023888-A1 | ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | B.C.I. PHARMA (BE) | 2021-02-11 | — | — | WO | disclosed |