Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8913905 | 0.82 | NPSR1 (0.35) | PTGS1PTGS2 | |
| SCHEMBL8914275 | 0.79 | TNFRSF1A (0.38) | ERN1ALDH1A1NPC1MAPTKDM4E | |
| SCHEMBL8914271 | 0.79 | TNFRSF1A (0.38) | ERN1ALDH1A1NPC1MAPTKDM4E | |
| SCHEMBL1337388 | 0.73 | ERN1 (0.43) | ERN1ALDH1A1NPC1HSD17B10KDM4E | |
| SCHEMBL1335295 | 0.72 | RAB9A (0.44) | ALDH1A1NPC1MAPTKDM4EHPGD | |
| SCHEMBL11937880 | 0.70 | ALDH1A1 (0.35) | ALDH1A1NPC1HSD17B10MAPTGFER | |
| SCHEMBL6625475 | 0.70 | ALDH1A1 (0.46) | ALDH1A1NPC1MAPTKDM4EHPGD | |
| SCHEMBL1335198 | 0.68 | PTGS2 (0.45) | ALDH1A1NPC1MAPTGFERPTGS1 | |
| SCHEMBL28220671 | 0.68 | NOTUM (0.41) | ALDH1A1NPC1MAPTHPGDNFKB1 | |
| SCHEMBL669436 | 0.68 | — | — |
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 |