Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.57 |
| ▸ | CTSS | P25774 | 2/20 | 0.57 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.45 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
| ▸ | GRK6 | P43250 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3012997 | 0.86 | HRH1 (0.60) | CTSKCTSSPIN1HRH1HRH4 | |
| SCHEMBL31093434 | 0.86 | CTSK (0.52) | CTSKCTSSPIN1HRH1HRH4 | |
| SCHEMBL3023938 | 0.86 | CTSK (0.52) | CTSKCTSSPIN1HRH1HRH4 | |
| SCHEMBL535052 | 0.78 | PDE5A (0.44) | CTSKPIN1KDM4ENPC1ALDH1A1 | |
| SCHEMBL27642887 | 0.77 | SCN2A (0.51) | CTSSPIN1HRH1HRH4CYP1A2 | |
| SCHEMBL4446189 | 0.76 | CTSK (0.67) | CTSKCTSSTLR8XDHKCNH2 | |
| SCHEMBL7667716 | 0.75 | MEN1 (0.55) | PIN1CYP1A2GRK6KDM4EMEN1 | |
| SCHEMBL26467068 | 0.73 | IDO1 (0.49) | CTSKCTSSPIN1HRH1HRH4 | |
| SCHEMBL31659840 | 0.73 | IDO1 (0.49) | CTSKCTSSPIN1HRH1HRH4 | |
| SCHEMBL7192429 | 0.73 | KIF11 (0.44) | CTSKCTSSPIN1CXCR2 |
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-116194537-A | Combination therapy with adenosine receptor antagonists | 泰昂治疗公司 | 2023-05-30 | — | — | CN | disclosed |