Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 6/20 | 0.65 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | THPO | P40225 | 1/20 | 0.65 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL30438436 | 1.00 | ADORA2B (0.65) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL7276352 | 0.90 | ADORA2B (0.65) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL30438203 | 0.80 | KDM4E (0.62) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL28909317 | 0.80 | KDM4E (0.62) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL1321894 | 0.79 | ADORA2B (1.00) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL28532419 | 0.76 | ADORA2B (0.63) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL30437680 | 0.76 | ADORA2B (0.63) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL28527789 | 0.76 | ADORA2B (0.63) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL10803201 | 0.70 | ADORA2B (0.69) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 | |
| Potassium Ion SCHEMBL10803702 | 0.70 | ADORA2B (0.67) | ADORA2BADORA1KDM4EALDH1A1CYP1A2 |
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-112209930-A | Istradefylline derivative and preparation method and application thereof | 山东新华制药股份有限公司 | 2021-01-12 | — | — | CN | disclosed |