Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFRSF1A | P19438 | 3/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL8914275 | 1.00 | TNFRSF1A (0.38) | TNFRSF1ATDO2SMN1; SMN2CA1CA2 | |
| SCHEMBL8912243 | 0.85 | NPSR1 (0.36) | TDO2SMN1; SMN2CA1CA2NFKB1 | |
| SCHEMBL8912247 | 0.85 | NPSR1 (0.36) | TDO2SMN1; SMN2CA1CA2NFKB1 | |
| SCHEMBL8913872 | 0.79 | ERN1 (0.43) | SMN1; SMN2NFKB1ALDH1A1ERN1KDM4E | |
| SCHEMBL8913948 | 0.75 | MEN1 (0.51) | SMN1; SMN2CA1CA2NFKB1CA4 | |
| SCHEMBL8913946 | 0.75 | MEN1 (0.51) | SMN1; SMN2CA1CA2NFKB1CA4 | |
| SCHEMBL7489005 | 0.74 | NFKB1 (0.39) | TDO2SMN1; SMN2CA1CA2NFKB1 | |
| SCHEMBL20524343 | 0.74 | NFKB1 (0.39) | TDO2SMN1; SMN2CA1CA2NFKB1 | |
| SCHEMBL20524312 | 0.74 | NFKB1 (0.39) | TDO2SMN1; SMN2CA1CA2NFKB1 | |
| SCHEMBL9091063 | 0.69 | NFKB1 (0.41) | TDO2SMN1; SMN2CA1CA2NFKB1 |
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 |