Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.45 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.42 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | GRK6 | P43250 | 1/20 | 0.41 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8765283 | 0.90 | MCL1 (0.45) | ADORA3LTB4RAVPR1BALDH1A1KDM4E | |
| SCHEMBL13217240 | 0.87 | MCL1 (0.42) | ADORA3LTB4RAVPR1BALDH1A1KDM4E | |
| SCHEMBL8601997 | 0.85 | ALDH1A1 (0.44) | ADORA3ALDH1A1KDM4EMAPK1MAPT | |
| SCHEMBL8596932 | 0.85 | MCL1 (0.41) | ADORA3LTB4RAVPR1BALDH1A1KDM4E | |
| SCHEMBL13997749 | 0.84 | LTB4R (0.39) | ADORA3ADORA2BADORA1LTB4RPTGER2 | |
| SCHEMBL8597039 | 0.83 | MEN1 (0.44) | ADORA3ADORA1LTB4RPTGER2KDM4E | |
| SCHEMBL7717266 | 0.83 | ADORA2A (0.37) | ADORA3ALDH1A1KDM4E | |
| SCHEMBL8935770 | 0.83 | ALDH1A1 (0.42) | ADORA3ALDH1A1KDM4EMAPK1 | |
| SCHEMBL9594479 | 0.82 | MCL1 (0.37) | LTB4RALDH1A1KDM4EMAPT | |
| SCHEMBL8936038 | 0.82 | ADORA2A (0.37) | ADORA3ALDH1A1KDM4EMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5539117-A | 2-acetyl-6-cyanopyridines and their use as intermediates in the synthesis of oligo-2,6-pyridines | GE HEALTHCARE AS (NO) | 1996-07-23 | — | — | US | disclosed |
| US-5350696-A | 2-acetyl-6-cyanopyridines and their use as intermediates in the synthesis of oligo-2,6-pyridines | STERLING WINTHROP, INC. (US) | 1994-09-27 | — | — | US | disclosed |