Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 3/20 | 0.34 |
| ▸ | RECQL | P46063 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | NEK2 | P51955 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1708820 | 0.83 | CHEK1 (0.45) | CASP1CYP3A4ALDH1A1TDP1ALOX15 | |
| SCHEMBL19088749 | 0.79 | TDP1 (0.52) | CYP3A4ALDH1A1TDP1ALOX15TP53 | |
| SCHEMBL22862815 | 0.77 | CYP2A6 (0.41) | ALDH1A1TDP1TSHRHSD17B10HPGD | |
| SCHEMBL21992430 | 0.76 | CASP1 (0.36) | CASP1CYP3A4ALDH1A1TDP1ALOX15 | |
| SCHEMBL22862869 | 0.74 | LOXL2 (0.38) | CYP3A4ALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL19160225 | 0.74 | SLC6A2 (0.39) | ALDH1A1ALOX15KMT2AMAPTMEN1 | |
| SCHEMBL5186192 | 0.73 | ALDH1A1 (0.50) | CASP1CYP3A4ALDH1A1TDP1TP53 | |
| SCHEMBL22862597 | 0.73 | SLC6A2 (0.40) | CYP3A4ALDH1A1ALOX15KMT2AMAPT | |
| Sulfuric Acid SCHEMBL7809579 | 0.73 | ALDH1A1 (0.53) | CASP1CYP3A4ALDH1A1TDP1ALOX15 | |
| SCHEMBL11811790 | 0.70 | CYP3A4 (0.46) | CASP1CYP3A4ALDH1A1TDP1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2817310-B1 | 8-SUBSTITUTED 2-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2018-03-21 | — | — | EP | disclosed |