Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.62 |
| ▸ | TYMP | P19971 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.41 |
| ▸ | PARP1 | P09874 | 6/20 | 0.35 |
| ▸ | SPR | P35270 | 4/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 2/20 | 0.32 |
| ▸ | AXL | P30530 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15693107 | 0.77 | DYRK1A (0.62) | DYRK1ATYMPGSK3BBACE1ADORA2A | |
| SCHEMBL311783 | 0.77 | DYRK1A (1.00) | DYRK1ATYMPGSK3BBACE1ADORA2A | |
| SCHEMBL7014736 | 0.77 | DYRK1A (0.62) | DYRK1ATYMPGSK3BBACE1ADORA2A | |
| SCHEMBL7851729 | 0.77 | DYRK1A (0.62) | DYRK1ATYMPGSK3BBACE1ADORA2A | |
| Hydrochloric Acid SCHEMBL25394322 | 0.76 | DYRK1A (0.96) | DYRK1ATYMPGSK3BBACE1ADORA2A | |
| SCHEMBL14228146 | 0.74 | DYRK1A (0.64) | DYRK1ATYMPGSK3BBACE1ADORA2A | |
| SCHEMBL18961718 | 0.73 | DYRK1A (0.57) | DYRK1ATYMPGSK3BBACE1ADORA2A | |
| SCHEMBL16212529 | 0.73 | DYRK1A (0.57) | DYRK1ATYMPGSK3BBACE1ADORA2A | |
| SCHEMBL7015127 | 0.73 | DYRK1A (0.57) | DYRK1ATYMPGSK3BBACE1ADORA2A | |
| SCHEMBL8073790 | 0.72 | DYRK1A (0.56) | DYRK1ATYMPGSK3BBACE1ADORA2A |
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-110078735-A | Pyrrolopyrimidine compounds with anti-tumor activity and application thereof | 河北医科大学 | 2019-08-02 | — | — | CN | disclosed |