Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3169426 | 0.94 | POLB (0.45) | ALDH1A1KDM4EMAPK1SMN1; SMN2POLB | |
| SCHEMBL3163863 | 0.94 | POLB (0.45) | ALDH1A1KDM4EMAPK1SMN1; SMN2POLB | |
| SCHEMBL3172100 | 0.91 | OPRL1 (0.49) | ALDH1A1KDM4EMAPK1SMN1; SMN2POLB | |
| SCHEMBL3170318 | 0.90 | LMNA (0.42) | ALDH1A1KDM4EMAPK1SMN1; SMN2POLB | |
| SCHEMBL3161434 | 0.88 | ADORA1 (0.42) | ALDH1A1KDM4EMAPK1SMN1; SMN2POLB | |
| SCHEMBL3162386 | 0.88 | OPRD1 (0.46) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL3162879 | 0.88 | UTS2R (0.44) | ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL3163125 | 0.87 | NPC1 (0.47) | ALDH1A1KDM4EPOLBKMT2AADORA1 | |
| SCHEMBL3164709 | 0.87 | NPC1 (0.47) | ALDH1A1KDM4EPOLBKMT2AADORA1 | |
| SCHEMBL3165247 | 0.87 | OPRM1 (0.49) | ALDH1A1MAPK1SMN1; SMN2HTTLMNA |
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 |