Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8935770 | 0.90 | ALDH1A1 (0.42) | ALDH1A1HPGDKDM4EADORA3GAA | |
| SCHEMBL30803820 | 0.90 | ADORA2A (0.37) | ALDH1A1HPGDKDM4EADORA3GAA | |
| SCHEMBL7717266 | 0.90 | ADORA2A (0.37) | ALDH1A1HPGDKDM4EADORA3GAA | |
| SCHEMBL8936038 | 0.89 | ADORA2A (0.37) | ALDH1A1HPGDKDM4EADORA3GAA | |
| SCHEMBL8935948 | 0.89 | ADORA2A (0.36) | ALDH1A1HPGDKDM4EADORA3GAA | |
| SCHEMBL8935970 | 0.87 | GRK6 (0.45) | ALDH1A1HPGDKDM4EGAAMAPT | |
| SCHEMBL8765283 | 0.86 | MCL1 (0.45) | ALDH1A1HPGDKDM4EADORA3LMNA | |
| SCHEMBL9391451 | 0.86 | GYS1 (0.36) | ALDH1A1HPGDKDM4EADORA3GAA | |
| SCHEMBL8935826 | 0.85 | ADORA3 (0.46) | ALDH1A1KDM4EADORA3MAPTDHODH | |
| SCHEMBL7770333 | 0.84 | ADORA2A (0.44) | ALDH1A1KDM4EADORA3KMT2ASLC6A9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5744119-A | LABELING A PROTEIN/TERPYRIDINE COMPLEX WITH A METAL RADIONUCLIDE | STERLING WINTHROP (US) | 1998-04-28 | — | — | US | disclosed |
| 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 |