Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 4/20 | 0.54 |
| ▸ | FADS1 | O60427 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.46 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16454871 | 0.88 | MEN1 (0.48) | SMOMEN1KMT2ALMNATP53 | |
| SCHEMBL16454828 | 0.85 | FADS1 (0.51) | SMOFADS1MEN1KMT2AKDM4E | |
| SCHEMBL16454858 | 0.84 | IDO1 (0.52) | SMOMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL16454872 | 0.83 | IDO1 (0.49) | SMOMEN1KMT2AKDM4ELMNA | |
| SCHEMBL16454856 | 0.79 | NPC1 (0.50) | MEN1KMT2AMAPTLMNATP53 | |
| SCHEMBL16454823 | 0.79 | NPC1 (0.55) | SMOFADS1MEN1KMT2AKDM4E | |
| SCHEMBL16454829 | 0.77 | KCNK3 (0.49) | MEN1KMT2AKDM4EALDH1A1MAPT | |
| SCHEMBL16454854 | 0.77 | TP53 (0.55) | SMOMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL15778871 | 0.76 | FADS1 (0.70) | FADS1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL16454875 | 0.75 | KCNK3 (0.53) | MEN1KMT2AALDH1A1MAPTL3MBTL1 |
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 |