Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 7/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 8/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29503174 | 0.97 | OPRM1 (0.53) | OPRM1OPRK1OPRD1PARP1PARP10 | |
| SCHEMBL6829281 | 0.97 | OPRM1 (0.53) | OPRM1OPRK1OPRD1PARP1PARP10 | |
| SCHEMBL29503130 | 0.95 | OPRM1 (0.52) | OPRM1OPRK1OPRD1PARP1PARP10 | |
| SCHEMBL28241099 | 0.81 | ATM (0.44) | OPRM1OPRK1OPRD1TSHRGAA | |
| SCHEMBL11004731 | 0.79 | OPRM1 (0.50) | OPRM1OPRK1OPRD1PARP1PARP10 | |
| SCHEMBL13386513 | 0.79 | PARP1 (0.50) | OPRM1OPRK1OPRD1PARP1TSHR | |
| SCHEMBL13386512 | 0.77 | PARP1 (0.48) | OPRM1OPRK1OPRD1PARP1PARP10 | |
| SCHEMBL10083357 | 0.76 | AKR1C1 (0.50) | OPRM1OPRK1OPRD1PARP1PARP10 | |
| Cyclohexane SCHEMBL180075 | 0.75 | PARP1 (0.64) | OPRM1OPRK1PARP1PARP10TSHR | |
| SCHEMBL2831672 | 0.75 | PARP1 (0.64) | OPRM1OPRK1PARP1PARP10TSHR |
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 |