Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 2/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.45 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | YES1 | P07947 | 2/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | INSR | P06213 | 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 | |
|---|---|---|---|---|
| SCHEMBL6663756 | 0.85 | ADORA1 (0.49) | ADORA1ADORA2AYTHDC1PIK3CDPIK3R1 | |
| SCHEMBL29842526 | 0.85 | CDK1 (0.52) | ADORA1ADORA2AYTHDC1PIK3CDPIK3R1 | |
| SCHEMBL6662718 | 0.85 | CDK1 (0.52) | ADORA1ADORA2AYTHDC1PIK3CDPIK3R1 | |
| SCHEMBL13137092 | 0.83 | ADORA1 (0.46) | ADORA1ADORA2AYTHDC1PIK3CDPIK3R1 | |
| SCHEMBL15214876 | 0.80 | ADORA2A (0.54) | ADORA1ADORA2ACDK1LMNAALDH1A1 | |
| SCHEMBL13462100 | 0.74 | PIK3CD (0.48) | ADORA1ADORA2AYTHDC1PIK3CDPIK3R1 | |
| SCHEMBL17570749 | 0.74 | YTHDC1 (0.43) | ADORA1ADORA2AYTHDC1PIK3CDPIK3R1 | |
| SCHEMBL29096109 | 0.74 | ADORA2A (0.59) | ADORA2AFGFR1HPGDHTTPDE10A | |
| SCHEMBL28610806 | 0.73 | CYP3A4 (0.45) | LMNAALDH1A1KDM4EYES1SRC | |
| SCHEMBL16363293 | 0.73 | YTHDC1 (0.59) | ADORA1ADORA2AYTHDC1CDK1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-109824660-B | Method for preparing 2-pyridyl substituted arylamine compound by rhodium catalyzed aromatic hydrocarbon oxidation amination | 陕西师范大学 | 2022-05-06 | — | — | CN | disclosed |
| CN-109824660-A | The method that rhodium catalysis arene oxidizing amination prepares the aromatic amine compounds of 2- pyridyl group substitution | 陕西师范大学 | 2019-05-31 | — | — | CN | disclosed |