Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 7/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | GCGR | P47871 | 9/20 | 0.47 |
| ▸ | GIPR | P48546 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | FABP2 | P12104 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3171511 | 0.90 | ADORA3 (0.51) | TRPV1ADORA3CYP3A4ALDH1A1 | |
| SCHEMBL3170716 | 0.88 | MAPT (0.53) | ADORA3SMN1; SMN2MEN1NPC1RAB9A | |
| SCHEMBL3175921 | 0.88 | TRPV1 (0.51) | TRPV1ADORA3GCGRGIPRCYP3A4 | |
| SCHEMBL3163102 | 0.87 | MLYCD (0.46) | TRPV1ADORA3CYP3A4SMN1; SMN2ALDH1A1 | |
| SCHEMBL3163297 | 0.85 | NPC1 (0.55) | ADORA3GCGRSMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL3170553 | 0.85 | TP53 (0.53) | ADORA3SMN1; SMN2MEN1NPC1RAB9A | |
| SCHEMBL3163156 | 0.85 | RAB9A (0.48) | ADORA3SMN1; SMN2MEN1NPC1RAB9A | |
| SCHEMBL3172697 | 0.84 | NPC1 (0.47) | ADORA3CYP3A4SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL3175775 | 0.84 | ADORA3 (0.48) | ADORA3CYP3A4SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL3176983 | 0.83 | ADORA3 (0.57) | ADORA3CYP3A4SMN1; SMN2ALDH1A1MEN1 |
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 |