Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 8/20 | 0.39 |
| ▸ | AKT2 | P31751 | 5/20 | 0.39 |
| ▸ | WDR5 | P61964 | 3/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | SGK1 | O00141 | 2/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | RPS6KA1 | Q15418 | 2/20 | 0.36 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29778999 | 1.00 | AKT1 (0.39) | AKT1AKT2WDR5P2RX7KLKB1 | |
| Hydrochloric Acid SCHEMBL29135938 | 0.99 | AKT1 (0.40) | AKT1AKT2WDR5P2RX7KLKB1 | |
| Hydrochloric Acid SCHEMBL29778490 | 0.99 | AKT1 (0.40) | AKT1AKT2WDR5P2RX7KLKB1 | |
| SCHEMBL29778591 | 0.93 | MAP4K4 (0.43) | WDR5P2RX7ROCK2MAP4K4 | |
| SCHEMBL29136011 | 0.93 | MAP4K4 (0.43) | WDR5P2RX7ROCK2MAP4K4 | |
| SCHEMBL24617640 | 0.90 | PARP1 (0.43) | PPARGROCK1ROCK2FLT3PIM1 | |
| SCHEMBL24617639 | 0.90 | AKT1 (0.42) | AKT1AKT2WDR5P2RX7SGK1 | |
| SCHEMBL29779039 | 0.90 | AKT1 (0.42) | AKT1AKT2WDR5P2RX7SGK1 | |
| SCHEMBL24616954 | 0.85 | P2RX7 (0.43) | AKT1AKT2WDR5P2RX7ROCK1 | |
| SCHEMBL24617089 | 0.85 | KLKB1 (0.39) | KLKB1PPARG |
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 |
|---|---|---|---|---|---|---|---|
| CN-117136186-A | Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof | 盖诺斯克公司 | 2023-11-28 | — | — | CN | claimed |
| CN-117136186-A | Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof | 盖诺斯克公司 | 2023-11-28 | — | — | CN | disclosed |
| WO-2022150381-A1 | SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF | Genosco Inc. (US) | 2022-07-14 | — | — | WO | disclosed |