Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | GRM5 | P41594 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1576978 | 0.92 | MAPT (0.51) | ADORA3ADORA1GRM5MAPTALDH1A1 | |
| SCHEMBL1576864 | 0.91 | GRM5 (0.46) | ADORA3ADORA1GRM5MAPTALDH1A1 | |
| SCHEMBL1523792 | 0.90 | MAP3K5 (0.47) | ADORA3ADORA1GRM5MAPTALDH1A1 | |
| SCHEMBL13654498 | 0.89 | MAP3K5 (0.47) | ADORA3ADORA1GRM5MAPTALDH1A1 | |
| SCHEMBL12719472 | 0.87 | GRM5 (0.43) | ADORA3ADORA1GRM5MAPTGAA | |
| SCHEMBL1524426 | 0.87 | MAP3K5 (0.45) | ADORA3ADORA1GRM5MAPTALDH1A1 | |
| SCHEMBL12719474 | 0.87 | GRM5 (0.43) | ADORA3ADORA1GRM5MAPTGAA | |
| SCHEMBL1576790 | 0.86 | GRM5 (0.42) | ADORA3ADORA1GRM5MAPTALDH1A1 | |
| SCHEMBL1523808 | 0.86 | KCNK2 (0.46) | GRM5MAPTALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL1577090 | 0.86 | MAP3K5 (0.46) | ADORA3ADORA1GRM5ALDH1A1POLB |
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-2011041293-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-04-07 | — | — | WO | disclosed |