Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | ESRRG | P62508 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3163394 | 0.91 | ADORA1 (0.51) | POLBLMNAADORA2AADORA1ALDH1A1 | |
| SCHEMBL3168663 | 0.90 | ADORA1 (0.48) | RAB9ANPC1POLBLMNAADORA2A | |
| SCHEMBL3170553 | 0.89 | TP53 (0.53) | RAB9ANPC1POLBESRRGMAPK1 | |
| SCHEMBL3162824 | 0.89 | ADORA1 (0.47) | RAB9ANPC1POLBLMNAADORA2A | |
| SCHEMBL3165176 | 0.89 | POLB (0.57) | RAB9ANPC1POLBLMNAADORA2A | |
| SCHEMBL3168677 | 0.87 | MLYCD (0.51) | LMNAADORA2AADORA1ALDH1A1MAPK1 | |
| SCHEMBL3168745 | 0.87 | ADORA2A (0.56) | LMNAADORA2AADORA1ALDH1A1MAPK1 | |
| SCHEMBL3155352 | 0.87 | ALDH1A1 (0.47) | RAB9ANPC1LMNAADORA2AADORA1 | |
| SCHEMBL3170298 | 0.87 | ADORA2A (0.46) | RAB9ANPC1POLBLMNAADORA2A | |
| SCHEMBL3164826 | 0.86 | CYP3A4 (0.49) | RAB9ALMNAADORA2AADORA1ALDH1A1 |
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 |