Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3172420 | 0.95 | DRD2 (0.46) | SMN1; SMN2KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL3169342 | 0.94 | CA1 (0.45) | SMN1; SMN2KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL3171920 | 0.88 | ADORA1 (0.47) | KDM4EALDH1A1ADORA3ADORA2AADORA1 | |
| SCHEMBL3163144 | 0.87 | ADORA3 (0.46) | SMN1; SMN2KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL3163125 | 0.87 | NPC1 (0.47) | KDM4EALDH1A1MEN1KMT2ANPSR1 | |
| SCHEMBL3164709 | 0.87 | NPC1 (0.47) | KDM4EALDH1A1MEN1KMT2ANPSR1 | |
| SCHEMBL3162425 | 0.86 | EGFR (0.53) | SMN1; SMN2KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL3163746 | 0.86 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1 | |
| SCHEMBL3169937 | 0.86 | ALDH1A1 (0.48) | ALDH1A1ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL3164858 | 0.85 | ALDH1A1 (0.49) | SMN1; SMN2KDM4EALDH1A1LMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |