Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | GYS1 | P13807 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.35 |
| ▸ | GAK | O14976 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7717266 | 0.92 | ADORA2A (0.37) | ALDH1A1TSHRGYS1MEN1KMT2A | |
| SCHEMBL30803820 | 0.92 | ADORA2A (0.37) | ALDH1A1TSHRGYS1MEN1KMT2A | |
| SCHEMBL8936038 | 0.91 | ADORA2A (0.37) | ALDH1A1TSHRGYS1MEN1KMT2A | |
| SCHEMBL8601997 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TSHRHSD17B10MAPK1GYS1 | |
| SCHEMBL8935948 | 0.90 | ADORA2A (0.36) | ALDH1A1TSHRGYS1MEN1KMT2A | |
| SCHEMBL7770333 | 0.86 | ADORA2A (0.44) | ALDH1A1TDP1MEN1KMT2AADORA2A | |
| SCHEMBL8765283 | 0.84 | MCL1 (0.45) | ALDH1A1TSHRMAPK1GYS1ADORA3 | |
| SCHEMBL8935826 | 0.83 | ADORA3 (0.46) | ALDH1A1MAPK1ADORA3KDM4E | |
| SCHEMBL13997750 | 0.82 | LTB4R (0.41) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL9594349 | 0.82 | LTB4R (0.41) | ALDH1A1MEN1KMT2AKDM4EGAA |
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 |