Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 3/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | GSTO1 | P78417 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | PDE6D | O43924 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 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 | |
|---|---|---|---|---|
| SCHEMBL8912962 | 0.84 | XPO1 (0.38) | HPGDSJAK3MAP2K7AURKA | |
| SCHEMBL7540702 | 0.80 | KDM4E (0.46) | KDM4ELMNASMN1; SMN2ATMNPSR1 | |
| SCHEMBL8914278 | 0.74 | THRB (0.33) | THRBTHRA | |
| SCHEMBL27545130 | 0.74 | KDM4E (0.43) | KDM4ELMNASMN1; SMN2ATMNPSR1 | |
| SCHEMBL35121 | 0.72 | FABP3 (0.49) | THRBTHRAKDM4ELMNASMN1; SMN2 | |
| SCHEMBL29733244 | 0.72 | FABP3 (0.49) | THRBTHRAKDM4ELMNASMN1; SMN2 | |
| SCHEMBL29413361 | 0.72 | THRB (0.56) | THRBTHRAKDM4ESMN1; SMN2ALOX15 | |
| SCHEMBL3841280 | 0.72 | THRB (0.56) | THRBTHRAKDM4ESMN1; SMN2ALOX15 | |
| SCHEMBL4498836 | 0.71 | MAPT (0.51) | KDM4ELMNASMN1; SMN2ATMNPSR1 | |
| Biphenyl SCHEMBL27827806 | 0.71 | FABP3 (0.48) | THRBTHRAKDM4ELMNASMN1; SMN2 |
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 |