Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 2/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24149399 | 0.74 | NAAA (0.39) | NAAAEGLN2 | |
| SCHEMBL9455422 | 0.74 | NAAA (0.39) | NAAACTSLCTSSEGLN2 | |
| SCHEMBL6476454 | 0.74 | LOXL2 (0.43) | NAAAALDH1A1EGLN2GRM2 | |
| SCHEMBL20143957 | 0.74 | CYP2A6 (0.43) | NAAAALDH1A1HPGDALOX15ALOX12 | |
| SCHEMBL19971709 | 0.74 | NAAA (0.39) | NAAAEGLN2 | |
| SCHEMBL21149414 | 0.74 | NAAA (0.46) | NAAAALDH1A1HPGDALOX15HSD17B10 | |
| Hydrochloric Acid SCHEMBL6476958 | 0.73 | LOXL2 (0.41) | NAAAALDH1A1EGLN2GRM2 | |
| Hydrochloric Acid SCHEMBL26922254 | 0.73 | LOXL2 (0.41) | NAAAALDH1A1EGLN2GRM2 | |
| SCHEMBL765184 | 0.70 | — | — | |
| SCHEMBL15858738 | 0.70 | CTSS (0.38) | NAAACTSSGRM2CTSK |
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-2016081290-A1 | AMINOPYRAZINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES | MERCK SHARP & DOHME CORP. (US) | 2016-05-26 | — | — | WO | disclosed |