Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGDS | O60760 | 1/20 | 0.65 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.57 |
| ▸ | GRIN2B | Q13224 | 12/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.55 |
| ▸ | CNR1 | P21554 | 2/20 | 0.55 |
| ▸ | CNR2 | P34972 | 2/20 | 0.55 |
| ▸ | JAK1 | P23458 | 1/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.54 |
| ▸ | TTBK1 | Q5TCY1 | 2/20 | 0.53 |
| ▸ | TTBK2 | Q6IQ55 | 2/20 | 0.53 |
| ▸ | JAK3 | P52333 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1818948 | 0.82 | HPGDS (0.88) | HPGDSIRAK4GRIN2BCYP2D6JAK1 | |
| SCHEMBL29230413 | 0.80 | HPGDS (0.65) | HPGDSIRAK4JAK1JAK3 | |
| SCHEMBL1817153 | 0.80 | HPGDS (1.00) | HPGDSIRAK4GRIN2BCYP2D6JAK1 | |
| SCHEMBL1815412 | 0.79 | HPGDS (0.76) | HPGDSIRAK4GRIN2BCYP2D6JAK1 | |
| SCHEMBL20708022 | 0.78 | GRIN2B (0.84) | GRIN2BCYP2D6KCNH2 | |
| SCHEMBL20183411 | 0.78 | JAK1 (0.60) | HPGDSGRIN2BCYP2D6JAK1KCNH2 | |
| SCHEMBL20183409 | 0.78 | JAK1 (0.60) | HPGDSGRIN2BCYP2D6JAK1KCNH2 | |
| SCHEMBL20708124 | 0.77 | HPGDS (0.78) | HPGDSIRAK4GRIN2BCYP2D6JAK1 | |
| SCHEMBL31034653 | 0.77 | HPGDS (0.78) | HPGDSIRAK4GRIN2BCYP2D6JAK1 | |
| SCHEMBL30945085 | 0.77 | HPGDS (0.78) | HPGDSIRAK4GRIN2BCYP2D6JAK1 |
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-2021083186-A1 | PIPERIDINAMINE COMPOUND CONTAINING FUSED RING PYRIMIDINE, PREPARATION METHOD THEREFOR AND USE THEREOF | 沈阳中化农药化工研发有限公司 | 2021-05-06 | — | — | WO | disclosed |