Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | RAB9A | P51151 | 7/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | GPR6 | P46095 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28299768 | 0.88 | GRM4 (0.61) | NPC1RAB9ASMN1; SMN2GPR6MAPT | |
| SCHEMBL28873490 | 0.84 | ALDH1A1 (0.59) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL28298330 | 0.79 | RAB9A (0.53) | NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL28298336 | 0.78 | RAB9A (0.60) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL28299719 | 0.78 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL28298333 | 0.78 | KMT2A (0.53) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL28298340 | 0.78 | RAB9A (0.56) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL28873605 | 0.77 | XDH (0.52) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL28298329 | 0.77 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2TP53ALOX15 | |
| SCHEMBL28299726 | 0.76 | RAB9A (0.57) | NPC1RAB9ASMN1; SMN2TP53HTT |
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 |