Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | RECQL | P46063 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP2J2 | P51589 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 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 | |
|---|---|---|---|---|
| SCHEMBL3161449 | 0.86 | DRD4 (0.49) | MEN1KMT2AALDH1A1ADORA1ADORA3 | |
| SCHEMBL3172018 | 0.86 | MEN1 (0.42) | MEN1KMT2AALDH1A1KCNH2ADORA1 | |
| SCHEMBL3164858 | 0.85 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2ADORA1ADORA2A | |
| SCHEMBL3164709 | 0.85 | NPC1 (0.47) | NPSR1MEN1KMT2AALDH1A1ADORA1 | |
| SCHEMBL3163125 | 0.85 | NPC1 (0.47) | NPSR1MEN1KMT2AALDH1A1ADORA1 | |
| SCHEMBL3171949 | 0.84 | PARP1 (0.47) | MEN1KMT2AALDH1A1ADORA1ADORA3 | |
| SCHEMBL3163330 | 0.84 | NPSR1 (0.48) | NPSR1HTTMEN1KMT2AALDH1A1 | |
| SCHEMBL3171920 | 0.84 | ADORA1 (0.47) | ALDH1A1ADORA1ADORA3ADORA2AADORA2B | |
| SCHEMBL3175802 | 0.84 | CYP1A2 (0.41) | MEN1KMT2ACYP2D6CYP2C19ADORA1 | |
| SCHEMBL3163144 | 0.83 | ADORA3 (0.46) | MEN1KMT2AALDH1A1SMN1; SMN2ADORA1 |
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 |