Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 5/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.59 |
| ▸ | GFER | P55789 | 4/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.59 |
| ▸ | TP53 | P04637 | 3/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.59 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.59 |
| ▸ | RELA | Q04206 | 3/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 8/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KLK7 | P49862 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 5/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20370637 | 0.75 | RAB9A (1.00) | NPC1RAB9ASMN1; SMN2GFERMAPK1 | |
| SCHEMBL28253323 | 0.72 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2GFERMAPK1 | |
| SCHEMBL8439508 | 0.69 | CYP3A4 (0.55) | SMN1; SMN2MAPTHTTTSHRLMNA | |
| SCHEMBL28235926 | 0.67 | CD38 (0.47) | SMN1; SMN2L3MBTL1TSHRLMNAALDH1A1 | |
| SCHEMBL18164418 | 0.67 | HTT (1.00) | NPC1RAB9ASMN1; SMN2NPSR1TP53 | |
| SCHEMBL18164422 | 0.66 | HTT (0.66) | NPC1RAB9ASMN1; SMN2MAPK1TP53 | |
| SCHEMBL2775189 | 0.66 | MAPT (0.73) | NPC1RAB9ASMN1; SMN2MAPK1TP53 | |
| SCHEMBL7651061 | 0.65 | RAB9A (0.60) | NPC1RAB9ASMN1; SMN2GFERMAPK1 | |
| SCHEMBL4950655 | 0.64 | MAPT (0.68) | NPC1RAB9ASMN1; SMN2MAPK1TP53 | |
| SCHEMBL7654953 | 0.64 | MAPT (0.50) | NPC1RAB9ASMN1; SMN2GFERMAPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108610336-A | A kind of diazonium analog derivative and its application in treatment of cancer | 刘思良 | 2018-10-02 | — | — | CN | disclosed |
| CN-108570024-A | A kind of diazonium analog derivative and its application in treatment of cancer | 刘思良 | 2018-09-25 | — | — | CN | disclosed |