Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XPO1 | O14980 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | GRK6 | P43250 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.33 |
| ▸ | HPGDS | O60760 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 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 | |
|---|---|---|---|---|
| SCHEMBL8915190 | 0.84 | THRB (0.39) | JAK3MAP2K7AURKAHPGDS | |
| SCHEMBL20342995 | 0.76 | ESR2 (0.42) | PTGER2 | |
| SCHEMBL18472808 | 0.74 | PTGER2 (0.41) | PIN1PTGER2 | |
| SCHEMBL28214966 | 0.72 | DCLRE1B (0.47) | JAK3JAK2MAP2K4NOTUMPIN1 | |
| SCHEMBL8912951 | 0.71 | JAK3 (0.40) | JAK3JAK2MAP2K4NOTUMPIN1 | |
| SCHEMBL30543222 | 0.71 | ESR1 (0.49) | — | |
| SCHEMBL5634217 | 0.71 | ESR1 (0.49) | — | |
| SCHEMBL8913209 | 0.71 | NOTUM (0.41) | JAK3JAK2NOTUMIDO1HTR7 | |
| SCHEMBL8912957 | 0.70 | TDO2 (0.46) | XPO1MAP2K4PIN1AURKA | |
| SCHEMBL8912952 | 0.70 | TDO2 (0.46) | XPO1MAP2K4PIN1AURKA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5606073-A | INTERMEDIATES FOR ADENOSINE ANTAGONISTS | EISAI CO., LTD. (JP) | 1997-02-25 | — | — | US | disclosed |
| US-5541213-A | ADENOSINE A1 RECEPTOR ANTAGONISTS, TREATMENT OF KIDNEY DISORDERS | EISAI CO., LTD. (JP) | 1996-07-30 | — | — | US | disclosed |
| EP-0630894-A1 | Propenoic acid derivatives as adenosine A1 antagonists | Eisai Co., Ltd. (JP) | 1994-12-28 | — | — | EP | disclosed |