Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 3/20 | 0.41 |
| ▸ | XPO1 | O14980 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.38 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8912952 | 1.00 | TDO2 (0.46) | TDO2RELAXPO1HCAR2MAP2K4 | |
| SCHEMBL8913948 | 0.84 | MEN1 (0.51) | RELAHCAR2PTGS1MEN1KMT2A | |
| SCHEMBL8913946 | 0.84 | MEN1 (0.51) | RELAHCAR2PTGS1MEN1KMT2A | |
| SCHEMBL8913209 | 0.80 | NOTUM (0.41) | TDO2 | |
| SCHEMBL28214966 | 0.76 | DCLRE1B (0.47) | MAP2K4PIN1 | |
| SCHEMBL9091063 | 0.76 | NFKB1 (0.41) | TDO2RELAHCAR2MEN1KMT2A | |
| SCHEMBL3777087 | 0.73 | NT5E (0.46) | TDO2RELAPTGS1MIFMAPT | |
| SCHEMBL3777084 | 0.73 | NT5E (0.46) | TDO2RELAPTGS1MIFMAPT | |
| SCHEMBL2861001 | 0.73 | MAP2K4 (0.49) | MAP2K4ESR1AURKA | |
| SCHEMBL28552501 | 0.73 | MEN1 (0.77) | MEN1KMT2AMAPTNPSR1 |
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 |