Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | SMO | Q99835 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 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 | 0.92 | MEN1 (0.48) | IDO1RAB9ANPC1SMOKMT2A | |
| SCHEMBL16454858 | 0.88 | IDO1 (0.52) | IDO1RAB9ANPC1SMOKMT2A | |
| SCHEMBL16454856 | 0.83 | NPC1 (0.50) | IDO1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL16454854 | 0.83 | TP53 (0.55) | IDO1RAB9ANPC1SMOKMT2A | |
| SCHEMBL16454827 | 0.82 | IDO1 (0.48) | IDO1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL16454853 | 0.75 | ALDH1A1 (0.46) | SMOKMT2AMEN1TP53HTT | |
| SCHEMBL13581604 | 0.75 | MEN1 (0.83) | RAB9ANPC1KMT2AMEN1TDP1 | |
| SCHEMBL16454829 | 0.74 | KCNK3 (0.49) | IDO1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL16454819 | 0.74 | HPGD (0.54) | NPC1KMT2AHTTHSD17B10GAA | |
| SCHEMBL16454812 | 0.74 | MAPT (0.49) | RAB9ANPC1SMOKMT2AMEN1 |
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 |