Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | SMO | Q99835 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16454856 | 0.85 | NPC1 (0.50) | TP53LMNARXFP1KMT2AMEN1 | |
| SCHEMBL16454871 | 0.83 | MEN1 (0.48) | TP53LMNARXFP1KMT2AMEN1 | |
| SCHEMBL16454872 | 0.83 | IDO1 (0.49) | TP53LMNAKMT2AKDM4EMEN1 | |
| SCHEMBL16454819 | 0.79 | HPGD (0.54) | KMT2AALDH1A1KDM4EHTTHPGD | |
| SCHEMBL16454790 | 0.74 | KMT2A (0.44) | KMT2AMEN1NPC1RAB9A | |
| SCHEMBL16454788 | 0.74 | POLB (0.60) | LMNAKMT2AALDH1A1KDM4EHTT | |
| SCHEMBL16454784 | 0.73 | TSHR (0.46) | TP53LMNARXFP1KMT2AALDH1A1 | |
| SCHEMBL16454851 | 0.72 | LMNA (0.43) | TP53LMNARXFP1KMT2AALDH1A1 | |
| SCHEMBL16454827 | 0.72 | IDO1 (0.48) | LMNARXFP1KMT2AALDH1A1KDM4E | |
| SCHEMBL9844298 | 0.71 | PDE2A (0.47) | ALDH1A1KDM4EHPGDSMN1; SMN2GAA |
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 |