Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 10/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.55 |
| ▸ | USP2 | O75604 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | APLNR | P35414 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 9/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4791564 | 0.83 | KDM4C (0.60) | CYP1A2CYP3A4CLK4USP2ALDH1A1 | |
| SCHEMBL29824145 | 0.82 | APLNR (0.51) | CYP1A2CYP3A4CLK4USP2ALDH1A1 | |
| SCHEMBL23598712 | 0.82 | APLNR (0.51) | CYP1A2CYP3A4CLK4USP2ALDH1A1 | |
| SCHEMBL1198126 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP3A4CLK4USP2ALDH1A1 | |
| SCHEMBL1197943 | 0.80 | CYP1A2 (0.59) | CYP1A2CYP3A4CLK4USP2ALDH1A1 | |
| SCHEMBL21262083 | 0.80 | CYP1A2 (0.59) | CYP1A2CYP3A4CLK4USP2ALDH1A1 | |
| SCHEMBL5543274 | 0.80 | APLNR (0.58) | CYP1A2CYP3A4CLK4USP2ALDH1A1 | |
| SCHEMBL12292182 | 0.80 | APLNR (0.58) | CYP1A2CYP3A4CLK4USP2ALDH1A1 | |
| SCHEMBL31519277 | 0.79 | TSHR (0.69) | ALDH1A1HSD17B10HIF1ATSHRNPC1 | |
| SCHEMBL20680240 | 0.79 | CD38 (0.51) | CYP1A2CYP3A4CLK4USP2ALDH1A1 |
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-117304191-A | Fused pyrazine derivatives as A2A/A2B inhibitors | 因赛特公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-113166153-A | Fused pyrazine derivatives as A2A/A2B inhibitors | 因赛特公司 | 2021-07-23 | — | — | CN | disclosed |