Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 4/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.43 |
| ▸ | CDC25B | P30305 | 4/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 2/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18311626 | 0.81 | HSD17B10 (0.44) | PTPN2PTPN1CDC25BPTPN6PTPN11 | |
| SCHEMBL18311755 | 0.81 | KMT2A (0.52) | PTPN2PTPN1CDC25BPTPN6PTPN11 | |
| SCHEMBL18304807 | 0.78 | KMT2A (0.58) | ADORA3BRD4HSD17B10KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL11401357 | 0.76 | ADORA3 (0.56) | ADORA3BRD4HSD17B10KDM4ENPC1 | |
| SCHEMBL18311634 | 0.74 | ALDH1A1 (0.39) | PTPN2PTPN1CDC25BPTPN6PTPN11 | |
| SCHEMBL11882099 | 0.70 | ALDH1A1 (0.52) | ADORA3BRD4HSD17B10KDM4EGAA | |
| SCHEMBL30484132 | 0.68 | ALDH1A1 (0.58) | HSD17B10KDM4EGAAHSD17B3ALDH1A1 | |
| SCHEMBL27883367 | 0.68 | ADORA3 (0.60) | ADORA3BRD4HSD17B10KDM4ENPC1 | |
| SCHEMBL1207100 | 0.68 | ALDH1A1 (0.58) | HSD17B10KDM4EGAAHSD17B3ALDH1A1 | |
| SCHEMBL11471421 | 0.67 | ADORA3 (0.55) | ADORA3BRD4HSD17B10KDM4ENPC1 |
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-2016200717-A1 | AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2016-12-15 | — | — | WO | disclosed |