Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 6/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 2/20 | 0.39 |
| ▸ | CDK8 | P49336 | 2/20 | 0.39 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23320737 | 0.82 | HDAC8 (0.47) | S1PR1HDAC8IRAK4HDAC6 | |
| SCHEMBL22452466 | 0.81 | S1PR1 (0.44) | S1PR1HDAC8IRAK4CDK8LMNA | |
| SCHEMBL15447288 | 0.81 | CASP3 (0.49) | S1PR1HDAC8IRAK4HDAC6NPC1 | |
| SCHEMBL30188651 | 0.77 | HDAC8 (0.39) | S1PR1HDAC8IRAK4HDAC6NPC1 | |
| SCHEMBL1637329 | 0.76 | HDAC8 (0.39) | HDAC8POLBHDAC6NPC1CYP1A2 | |
| SCHEMBL21411441 | 0.75 | IRAK4 (0.38) | HDAC8IRAK4 | |
| SCHEMBL28877889 | 0.75 | S1PR1 (0.39) | S1PR1IRAK4CCNCCDK8 | |
| SCHEMBL13332262 | 0.74 | ALDH1A1 (0.43) | S1PR1HDAC8POLBCDK8LMNA | |
| SCHEMBL29209083 | 0.73 | HDAC8 (0.42) | S1PR1HDAC8IRAK4LMNAHDAC6 | |
| SCHEMBL31394603 | 0.73 | HDAC8 (0.38) | HDAC8IRAK4CCNCCDK8LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022206730-A1 | PYRIMIDOPYRAZINE COMPOUND AND USE THEREOF | 武汉人福创新药物研发中心有限公司 | 2022-10-06 | — | — | WO | disclosed |
| CN-115141202-A | Pyrimidopyrazinone compounds and uses thereof | 武汉人福创新药物研发中心有限公司 | 2022-10-04 | — | — | CN | disclosed |