Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASIC3 | Q9UHC3 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | MIF | P14174 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1013231 | 0.82 | S1PR1 (0.52) | ASIC3ALDH1A1HSD17B10ADORA3ADORA2A | |
| SCHEMBL21003370 | 0.82 | ASIC3 (0.57) | ASIC3ALDH1A1HSD17B10MIFADORA3 | |
| SCHEMBL284286 | 0.82 | ASIC3 (0.71) | ASIC3ALDH1A1MIFKMOADORA2A | |
| SCHEMBL24215053 | 0.80 | KMO (0.54) | ASIC3ALDH1A1KMOADORA2AADORA1 | |
| SCHEMBL27904874 | 0.80 | ASIC3 (0.68) | ASIC3ALDH1A1MIFKMOADORA2A | |
| SCHEMBL29406194 | 0.80 | ASIC3 (0.68) | ASIC3ALDH1A1MIFKMOADORA2A | |
| SCHEMBL28218682 | 0.80 | ASIC3 (0.68) | ASIC3ALDH1A1MIFKMOADORA2A | |
| SCHEMBL31121692 | 0.78 | MIF (0.50) | ASIC3ALDH1A1HSD17B10MIFKMO | |
| SCHEMBL1415582 | 0.78 | CLK4 (0.45) | ASIC3ALDH1A1HSD17B10ADORA3NPC1 | |
| SCHEMBL6674627 | 0.78 | SMN1; SMN2 (0.60) | ASIC3ALDH1A1HSD17B10MIFKMO |
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-104822380-B | The novel disubstituted aminopyridine derivative of 4,6- | 维罗斯塔蒂克斯公司 | 2019-01-01 | — | — | CN | disclosed |
| CN-104822380-A | Novel 4,6-disubstituted aminopyrimidine derivatives | VIROSTATICS SRL | 2015-08-05 | — | — | CN | disclosed |