Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.65 |
| ▸ | PARP1 | P09874 | 6/20 | 0.60 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.53 |
| ▸ | OPRD1 | P41143 | 9/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | MLYCD | O95822 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28330716 | 1.00 | KMO (0.65) | KMOPARP1OPRM1OPRD1HRH3 | |
| SCHEMBL1036815 | 0.93 | PARP1 (0.64) | KMOPARP1OPRM1OPRD1HRH3 | |
| SCHEMBL15205959 | 0.85 | KMO (0.60) | KMOPARP1OPRM1OPRD1HDAC4 | |
| SCHEMBL30004901 | 0.85 | PARP1 (0.55) | KMOPARP1OPRM1OPRD1MLYCD | |
| SCHEMBL31311744 | 0.84 | DRD2 (0.55) | KMOPARP1 | |
| SCHEMBL15019437 | 0.84 | KMO (0.90) | KMOHDAC4HDAC2HDAC8MLYCD | |
| Hydrochloric Acid SCHEMBL16210633 | 0.83 | HTR2C (0.55) | KMOPARP1OPRM1OPRD1 | |
| SCHEMBL30344892 | 0.82 | PARP1 (0.53) | KMOPARP1OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL28155975 | 0.81 | PARP1 (0.51) | KMOPARP1OPRM1OPRD1 | |
| Hydrochloric Acid SCHEMBL28155974 | 0.81 | PARP1 (0.51) | KMOPARP1OPRM1OPRD1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111601790-B | Heteroaryl compounds as protein kinase inhibitors | 福建海西新药创制股份有限公司 | 2023-03-31 | — | — | CN | claimed |
| EP-3749646-B1 | HETEROARYL COMPOUNDS AS KINASE INHIBITOR | FUJIAN HAIXI PHARMACEUTICALS CO LTD (CN) | 2022-04-06 | — | — | EP | claimed |
| CN-116715625-A | Heteroaryl compounds as protein kinase inhibitors | 福建海西新药创制股份有限公司 | 2023-09-08 | — | — | CN | disclosed |
| CN-111601790-B | Heteroaryl compounds as protein kinase inhibitors | 福建海西新药创制股份有限公司 | 2023-03-31 | — | — | CN | disclosed |