Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.49 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.48 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.48 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.48 |
| ▸ | TDO2 | P48775 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
| ▸ | ULK1 | O75385 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 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 | |
|---|---|---|---|---|
| SCHEMBL25904143 | 0.81 | PRKAG1 (0.46) | PRKAG1PRKAA1PRKAB1TDO2CYP2A6 | |
| SCHEMBL7334380 | 0.73 | PRKAB2 (0.38) | PRKAG1PRKAA1PRKAB1 | |
| SCHEMBL7329094 | 0.73 | AURKA (0.49) | — | |
| SCHEMBL4792948 | 0.72 | BRD4 (0.59) | MAP3K11PRKAA1CDK9CDK5DYRK1A | |
| SCHEMBL7328650 | 0.71 | MAP3K11 (0.70) | MAP3K11TDO2DYRK3CCNT1CDK9 | |
| SCHEMBL7336581 | 0.71 | HTR2A (0.45) | MAP3K11PRKAG1PRKAA1PRKAB1TDO2 | |
| SCHEMBL7327856 | 0.70 | PRKAG1 (0.43) | MAP3K11PRKAG1PRKAA1PRKAB1TDO2 | |
| SCHEMBL7331408 | 0.70 | BTK (0.41) | CYP17A1CYP19A1CYP11B1CYP11B2LOXL2 | |
| SCHEMBL7336629 | 0.70 | NR4A2 (0.45) | MAPK1MAPT | |
| SCHEMBL2522333 | 0.70 | MAP3K11 (0.80) | MAP3K11PRKAG1PRKAA1PRKAB1TDO2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0674620-A1 | TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014771-A1 | TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-07 | — | — | WO | disclosed |