Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.38 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.37 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1577087 | 1.00 | GRM5 (0.42) | GRM5ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL1576792 | 1.00 | GRM5 (0.42) | GRM5ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL1576848 | 0.92 | GRM5 (0.41) | GRM5ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL1577172 | 0.92 | GRM5 (0.41) | GRM5ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL1576845 | 0.92 | GRM5 (0.41) | GRM5ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL12719825 | 0.88 | GRM5 (0.44) | GRM5ALDH1A1CYP2C9HPGDCYP2C19 | |
| SCHEMBL12719474 | 0.87 | GRM5 (0.43) | GRM5ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL12719472 | 0.87 | GRM5 (0.43) | GRM5ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL12719592 | 0.86 | ADORA3 (0.51) | GRM5ALDH1A1CYP1A2CYP2C9HPGD | |
| SCHEMBL1576978 | 0.83 | MAPT (0.51) | GRM5ALDH1A1CYP1A2CYP2C9HPGD |
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 3 patents. 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 | claimed |
| 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 |
| 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 |