Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 9/20 | 0.61 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | GPR6 | P46095 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.49 |
| ▸ | MET | P08581 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | MERTK | Q12866 | 1/20 | 0.49 |
| ▸ | PDE5A | O76074 | 1/20 | 0.48 |
| ▸ | PDE1A | P54750 | 1/20 | 0.48 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.48 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28299720 | 0.88 | NPC1 (0.51) | GRM4NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL8185285 | 0.83 | SMN1; SMN2 (0.74) | GRM4NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28873490 | 0.81 | ALDH1A1 (0.59) | NPC1RAB9ASMN1; SMN2PDE5APDE1A | |
| SCHEMBL28299838 | 0.78 | GRM4 (0.64) | GRM4NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28298334 | 0.78 | GRM4 (0.64) | GRM4NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28298369 | 0.77 | GRM4 (0.63) | GRM4NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28298321 | 0.77 | GRM4 (0.63) | GRM4NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL16592641 | 0.77 | GRM4 (0.81) | GRM4NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL28299728 | 0.77 | GRM4 (0.61) | GRM4NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL28873606 | 0.76 | GRM4 (0.60) | GRM4NPC1RAB9ASMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-106674098-B | N- (3- cyano -4- alkoxyl phenyl) pyridine carboxamides and application thereof | 中国医科大学 | 2019-07-02 | — | — | CN | disclosed |