Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | PRNP | P04156 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.42 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.41 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 1/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19086022 | 0.85 | RAB9A (0.56) | NPC1RAB9APRNPUSP2TP53 | |
| SCHEMBL19086231 | 0.79 | ALDH1A1 (0.56) | NPC1RAB9ATP53GAASMN1; SMN2 | |
| SCHEMBL19086350 | 0.73 | MAPT (0.48) | NPC1RAB9AUSP2GAATSHR | |
| SCHEMBL19086320 | 0.70 | KDM4E (0.56) | NPC1RAB9ATP53TSHRSMN1; SMN2 | |
| SCHEMBL19087009 | 0.68 | ALDH1A1 (0.49) | NPC1RAB9ATP53GAATSHR | |
| SCHEMBL19086247 | 0.67 | L3MBTL1 (0.48) | NPC1RAB9AUSP2GAASMN1; SMN2 | |
| SCHEMBL19086028 | 0.67 | ALDH1A1 (0.47) | USP2SMN1; SMN2HDAC6PRMT5WDR77 | |
| SCHEMBL3310110 | 0.67 | F10 (0.56) | NPC1RAB9APRNPMAPK1ALDH1A1 | |
| SCHEMBL1911310 | 0.66 | NPC1 (0.57) | NPC1RAB9ATSHRMAPK1PIM3 | |
| SCHEMBL19086200 | 0.65 | HDAC6 (0.48) | NPC1RAB9APRNPHDAC6PRMT5 |
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-2017114275-A1 | COMPOUND FOR INHIBITING ROCK, PREPARATION METHOD AND USE OF SAME | 成都先导药物开发有限公司 | 2017-07-06 | — | — | WO | disclosed |