Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CASP1 | P29466 | 1/20 | 0.55 |
| ▸ | CACNA1D | Q01668 | 3/20 | 0.55 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.55 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.55 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.55 |
| ▸ | DHFR | P00374 | 1/20 | 0.54 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | XBP1 | P17861 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3027412 | 0.89 | ADORA3 (0.89) | ADORA3KDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL11729428 | 0.87 | ADORA3 (0.68) | ADORA3KDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL11521734 | 0.87 | KDM4E (0.61) | ADORA3KDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL11524242 | 0.87 | KDM4E (0.59) | ADORA3KDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL11524111 | 0.86 | KDM4E (0.81) | ADORA3KDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL11452070 | 0.86 | ADORA3 (0.67) | ADORA3KDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL11522715 | 0.85 | ABCC1 (0.58) | ADORA3TSHRABCC1LMNACACNA1D | |
| SCHEMBL11521974 | 0.85 | TSHR (0.62) | ADORA3KDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL7286944 | 0.85 | ADORA3 (0.65) | ADORA3KDM4EALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL29173863 | 0.85 | ADORA3 (0.82) | ADORA3KDM4EALDH1A1TSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4177278-A | 2-Alkyleneaminodihydropyridines compounds, their production and their medicinal use | BAYER AKTIENGESELLSCHAFT (DE) | 1979-12-04 | — | — | US | disclosed |