Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 7/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL28493950 | 0.72 | POLB (0.52) | ALDH1A1KDM4EHPGDADORA2APOLB | |
| SCHEMBL18041785 | 0.71 | TGFBR1 (0.52) | ALDH1A1KDM4EHPGDADORA3ADORA2A | |
| SCHEMBL12838503 | 0.70 | ATR (0.51) | ALDH1A1KDM4EHPGDADORA3ADORA2A | |
| SCHEMBL7211818 | 0.69 | MAPK14 (0.52) | ALDH1A1KDM4EHPGDADORA3ADORA2A | |
| SCHEMBL7234155 | 0.69 | MAPK14 (0.52) | ALDH1A1KDM4EHPGDADORA3ADORA2A | |
| SCHEMBL2322060 | 0.68 | ADORA2A (0.55) | ALDH1A1KDM4EHPGDADORA3ADORA2A | |
| SCHEMBL12839987 | 0.68 | ADORA3 (0.47) | ALDH1A1KDM4EHPGDADORA3ADORA2A | |
| SCHEMBL9893016 | 0.67 | ALDH1A1 (0.75) | ALDH1A1KDM4EPOLBRAB9APKM | |
| SCHEMBL18041932 | 0.66 | TGFBR1 (0.55) | ALDH1A1KDM4EHPGDADORA3ADORA2A | |
| SCHEMBL2820812 | 0.66 | MAPK14 (0.50) | ALDH1A1KDM4EHPGDADORA3MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108467386-B | Fused heteroaryl substituted 1,2, 4-triazine-3-amine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-11-17 | — | — | CN | disclosed |