Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | TP53 | P04637 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.55 |
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.49 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.48 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.47 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16454823 | 0.91 | NPC1 (0.55) | NPC1RAB9ATP53SMN1; SMN2ALDH1A1 | |
| SCHEMBL16454855 | 0.86 | PIK3CD (0.50) | NPC1RAB9ATP53SMN1; SMN2NFKB1 | |
| SCHEMBL16454875 | 0.83 | KCNK3 (0.53) | NPC1RAB9ATP53SMN1; SMN2KCNK3 | |
| SCHEMBL16454785 | 0.82 | ALDH1A1 (0.52) | NPC1RAB9ATP53SMN1; SMN2PIK3CD | |
| SCHEMBL16454824 | 0.81 | NPC1 (0.56) | NPC1RAB9ATP53SMN1; SMN2NFKB1 | |
| SCHEMBL16454825 | 0.81 | RAB9A (0.46) | NPC1RAB9ATP53SMN1; SMN2ALDH1A1 | |
| SCHEMBL16454828 | 0.77 | FADS1 (0.51) | NPC1RAB9ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL16454853 | 0.74 | ALDH1A1 (0.46) | TP53KCNK3ALDH1A1MAPTPOLB | |
| SCHEMBL16454818 | 0.74 | HPGD (0.55) | NPC1ALDH1A1MAPTKMT2AGAA | |
| SCHEMBL16454829 | 0.73 | KCNK3 (0.49) | NPC1RAB9ASMN1; SMN2KCNK3ALDH1A1 |
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 |