Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.43 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31058123 | 0.76 | PTPN2 (0.44) | — | |
| SCHEMBL17269947 | 0.76 | KHK (0.45) | KHKCNR1CNR2HDAC1CYP1A2 | |
| SCHEMBL20224882 | 0.75 | CYP1A2 (0.52) | KHKHDAC1CYP1A2CYP2D6DRD2 | |
| SCHEMBL18474437 | 0.73 | KHK (0.51) | KHKHDAC1 | |
| SCHEMBL17269902 | 0.72 | TGM2 (0.47) | KHKHDAC1 | |
| SCHEMBL4039702 | 0.71 | BRD4 (0.47) | RPS6KA2BRD4CREBBPCYP3A4CYP2C19 | |
| SCHEMBL15461393 | 0.71 | SMN1; SMN2 (0.50) | BRD4CYP3A4CYP2C19 | |
| SCHEMBL27760911 | 0.68 | NPSR1 (0.56) | KHKCNR2HDAC1CYP3A4CYP2C19 | |
| SCHEMBL16001247 | 0.68 | ALDH1A1 (0.54) | BRD4CYP1A2CYP2D6CYP3A4CYP2C19 | |
| SCHEMBL13696944 | 0.68 | TDP1 (0.53) | — |
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-2024175081-A1 | SHP2 INHIBITOR COMPOUND AND USE THEREOF | 深圳真实生物医药科技有限公司 | 2024-08-29 | — | — | WO | disclosed |