Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL16454891 | 0.99 | NPSR1 (0.53) | NPSR1ALDH1A1POLBTSHRLMNA | |
| SCHEMBL16454893 | 0.97 | NPSR1 (0.55) | NPSR1ALDH1A1POLBTSHRLMNA | |
| SCHEMBL16454797 | 0.90 | HTR1A (0.50) | NPSR1ALDH1A1POLBTSHRLMNA | |
| SCHEMBL16454857 | 0.89 | ALDH1A1 (0.50) | NPSR1ALDH1A1POLBTSHRLMNA | |
| SCHEMBL16454799 | 0.89 | NPSR1 (0.47) | NPSR1ALDH1A1POLBTSHRLMNA | |
| SCHEMBL16454894 | 0.88 | MAPT (0.52) | NPSR1ALDH1A1TSHRLMNAMAPK1 | |
| SCHEMBL16454882 | 0.86 | SMN1; SMN2 (0.54) | NPSR1ALDH1A1TSHRLMNAMAPK1 | |
| SCHEMBL16454852 | 0.82 | KDM4E (0.47) | NPSR1ALDH1A1POLBTSHRMAPK1 | |
| SCHEMBL16454887 | 0.80 | GAA (0.53) | NPSR1ALDH1A1POLBTSHRLMNA | |
| SCHEMBL16454806 | 0.78 | KMT2A (0.49) | ALDH1A1POLBTSHRMAPK1MAPT |
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-2015020565-A1 | SUBSTITUTED [1,2,4]TRIAZOLO[4,3-A]PYRIDINES EXHIBITING ANTAGONIST PROPERTIES TO ADENOSINE A2A RECEPTORS, AND USE THEREOF | ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "НЬЮВАК" (ООО "НЬЮВАК") (RU) | 2015-02-12 | — | — | WO | disclosed |