Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | JAK1 | P23458 | 2/20 | 0.35 |
| ▸ | TYK2 | P29597 | 2/20 | 0.35 |
| ▸ | JAK3 | P52333 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15640007 | 1.00 | PARP1 (0.43) | PARP1BCHENOTUMADORA3ADORA2A | |
| SCHEMBL15639439 | 0.84 | PARP1 (0.47) | PARP1BCHENOTUMADORA3ADORA2A | |
| SCHEMBL29571562 | 0.84 | PARP1 (0.47) | PARP1BCHENOTUMADORA3ADORA2A | |
| SCHEMBL15639088 | 0.79 | PARP1 (0.50) | PARP1BCHENOTUMADORA3ADORA2A | |
| SCHEMBL19313252 | 0.79 | PARP1 (0.43) | PARP1BCHENOTUMADORA3ADORA2A | |
| SCHEMBL3747570 | 0.79 | ADORA1 (0.51) | NOTUMADORA3ADORA2AMGLLHDAC1 | |
| SCHEMBL29573266 | 0.79 | PARP1 (0.50) | PARP1BCHENOTUMADORA3ADORA2A | |
| SCHEMBL13982921 | 0.74 | PARP1 (0.52) | PARP1BCHENOTUMADORA3ADORA2A | |
| SCHEMBL2359053 | 0.69 | BCHE (0.41) | PARP1BCHENOTUMADORA3ADORA2A | |
| SCHEMBL29571748 | 0.69 | BCHE (0.41) | PARP1BCHENOTUMADORA3ADORA2A |
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-113243374-B | Heterocyclic compounds as pesticides | 拜耳农作物科学股份公司 | 2022-04-26 | — | — | CN | disclosed |