Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | KDM5A | P29375 | 1/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.47 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.47 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.46 |
| ▸ | GLRB | P48167 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.45 |
| ▸ | HPGDS | O60760 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24933996 | 0.86 | ALDH1A1 (0.47) | HDAC8GLRA3GLRBHPGDSALDH1A1 | |
| SCHEMBL30999881 | 0.86 | ALDH1A1 (0.47) | HDAC8GLRA3GLRBHPGDSALDH1A1 | |
| SCHEMBL9507238 | 0.84 | BRD4 (0.48) | CDK8GLRA3GLRBMAP4K4HPGDS | |
| SCHEMBL31216543 | 0.83 | KAT6A (0.44) | HDAC8HDAC6GLRA3GLRBHPGDS | |
| SCHEMBL6434655 | 0.83 | GLRA3 (0.62) | CDK8KDM4CGLRA3GLRBHPGDS | |
| SCHEMBL17146451 | 0.83 | GLRA3 (0.44) | PIP5K1CPIK3CAGLRA3GLRBHPGDS | |
| SCHEMBL939928 | 0.82 | KEAP1 (0.55) | HDAC6KDM5AKDM4CKDM5BGLRA3 | |
| SCHEMBL31558442 | 0.82 | KEAP1 (0.55) | HDAC6KDM5AKDM4CKDM5BGLRA3 | |
| SCHEMBL6433748 | 0.81 | HPGDS (0.47) | GLRA3GLRBHPGDSALDH1A1HPGD | |
| SCHEMBL6573037 | 0.81 | PRKCI (0.50) | CDK8GLRA3GLRBUSP30HPGDS |
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-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |