Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 2/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 2/20 | 0.43 |
| ▸ | HMGCR | P04035 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7291805 | 1.00 | TSHR (0.62) | TSHRCYP3A4KDM4EHTTCREBBP | |
| SCHEMBL705665 | 0.88 | KDM4E (0.69) | TSHRCYP3A4KDM4EHTTGAA | |
| SCHEMBL30870738 | 0.88 | KDM4E (0.69) | TSHRCYP3A4KDM4EHTTGAA | |
| SCHEMBL24792666 | 0.87 | MAPK1 (0.56) | TSHRCYP3A4KDM4EMAPK1GAA | |
| SCHEMBL16083519 | 0.86 | KDM4E (0.51) | TSHRCYP3A4KDM4EHTTMAPT | |
| SCHEMBL7291265 | 0.86 | KDM4E (0.51) | TSHRCYP3A4KDM4EHTTMAPT | |
| SCHEMBL1012737 | 0.86 | KDM4E (0.78) | TSHRCYP3A4KDM4EMAPK1GAA | |
| SCHEMBL6383531 | 0.86 | KDM4E (0.78) | TSHRCYP3A4KDM4EMAPK1GAA | |
| SCHEMBL21753969 | 0.86 | KDM4E (0.54) | TSHRCYP3A4KDM4EHTTGAA | |
| SCHEMBL16285129 | 0.86 | KDM4E (0.54) | TSHRCYP3A4KDM4EHTTGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0343574-B1 | 4(1H)-quinolone derivatives | KIRIN BREWERY (JP) | 1994-07-27 | — | — | EP | disclosed |
| US-5081121-A | Cardiotonic agents | KIRIN BEER KABUSHIKI KAISHA (JP) | 1992-01-14 | — | — | US | disclosed |
| EP-0343574-A1 | 4(1H)-quinolone derivatives | KIRIN BEER KABUSHIKI KAISHA (JP) | 1989-11-29 | — | — | EP | disclosed |