Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.30 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.30 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CDK4 | P11802 | 1/20 | 0.30 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.30 |
| ▸ | CCND1 | P24385 | 1/20 | 0.30 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | CCNB3 | Q8WWL7 | 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 | |
|---|---|---|---|---|
| SCHEMBL12394807 | 0.73 | SORT1 (0.42) | CCNB2CCNE2CDK1CDK4CCNB1 | |
| SCHEMBL22601334 | 0.72 | ACHE (0.33) | NPC1RAB9A | |
| SCHEMBL20803981 | 0.70 | RXRA (0.37) | RAB9A | |
| SCHEMBL21414063 | 0.69 | RAB9A (0.31) | NPC1RAB9A | |
| SCHEMBL24919732 | 0.68 | ALDH1A1 (0.36) | NPC1RAB9A | |
| SCHEMBL15304182 | 0.68 | ALDH1A1 (0.36) | NPC1RAB9A | |
| SCHEMBL13534126 | 0.68 | CCNB2 (0.38) | CCNB2CCNE2CDK1CDK4CCNB1 | |
| SCHEMBL23136954 | 0.68 | NAMPT (0.32) | — | |
| SCHEMBL20666006 | 0.68 | CCNB2 (0.30) | CCNB2CCNE2CDK1CDK4CCNB1 | |
| SCHEMBL12417808 | 0.67 | CCNB2 (0.35) | CCNB2CCNE2CDK1CDK4CCNB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9951048-B1 | Isoquinolin-3-yl carboxamides and preparation and use thereof | SAMUMED, LLC (US) | 2018-04-24 | — | — | US | disclosed |