Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CDC25B | P30305 | 4/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 3/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.38 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 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 | |
|---|---|---|---|---|
| SCHEMBL18311634 | 0.84 | ALDH1A1 (0.39) | HSD17B10CDC25BPTPN2PTPN1CHRNA3 | |
| SCHEMBL18304919 | 0.82 | KMT2A (0.53) | HSD17B10ALDH1A1KDM4EMAPK1HPGD | |
| SCHEMBL18311756 | 0.81 | ADORA3 (0.45) | HSD17B10CDC25BPTPN2PTPN1PTPN6 | |
| SCHEMBL18311755 | 0.73 | KMT2A (0.52) | CDC25BPTPN2PTPN1PTPN6PTPN11 | |
| SCHEMBL23611759 | 0.71 | HSD17B10 (0.62) | HSD17B10CHRNA3ALDH1A1KDM4EMAPK1 | |
| SCHEMBL29930704 | 0.71 | HSD17B10 (0.62) | HSD17B10CHRNA3ALDH1A1KDM4EMAPK1 | |
| SCHEMBL13779277 | 0.70 | HSD17B10 (0.58) | HSD17B10CHRNA3ALDH1A1KDM4ENPC1 | |
| SCHEMBL1528353 | 0.69 | KMT2A (0.57) | HSD17B10CHRNA3GABRG2GABRB3GABRA2 | |
| SCHEMBL29930960 | 0.69 | KMT2A (0.57) | HSD17B10CHRNA3GABRG2GABRB3GABRA2 | |
| SCHEMBL71938 | 0.69 | HSD17B10 (0.60) | HSD17B10CHRNA3ALDH1A1KDM4EMAPK1 |
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 |