Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 11/20 | 0.48 |
| ▸ | DHODH | Q02127 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4666215 | 0.90 | ADORA1 (0.51) | ADORA1DHODHADORA3 | |
| SCHEMBL14600708 | 0.89 | ADORA1 (0.50) | ADORA1DHODHADORA2BADORA3LMNA | |
| SCHEMBL14600233 | 0.89 | ADORA1 (0.46) | ADORA1DHODHADORA2BADORA3 | |
| SCHEMBL14600441 | 0.83 | ADORA1 (0.56) | ADORA1DHODHADORA2BADORA3 | |
| SCHEMBL14600440 | 0.82 | ADORA1 (0.50) | ADORA1DHODHADORA2BADORA3 | |
| SCHEMBL14600205 | 0.81 | ADORA1 (0.49) | ADORA1DHODHADORA2BADORA3 | |
| SCHEMBL14600241 | 0.81 | ADORA1 (0.46) | ADORA1DHODHADORA2BADORA3 | |
| SCHEMBL14600996 | 0.80 | ADORA1 (0.51) | ADORA1ADORA2BMEN1KMT2A | |
| SCHEMBL4665259 | 0.80 | ADORA1 (0.51) | ADORA1DHODHADORA2BADORA3 | |
| SCHEMBL14600230 | 0.80 | ADORA1 (0.47) | ADORA1DHODHADORA2BADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007027842-A1 | ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES | BAYER HEALTHCARE LLC (US) | 2007-03-08 | — | — | WO | disclosed |