Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 10/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.58 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.58 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.58 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.58 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.58 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.58 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.58 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 8/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 7/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2572169 | 0.81 | AKR1C1 (0.42) | OPRM1OPRK1OPRD1DRD3OPRL1 | |
| SCHEMBL14164046 | 0.79 | OPRM1 (0.60) | OPRM1KCNH2GRIN2DGRIN3BCHRM2 | |
| SCHEMBL17465640 | 0.79 | OPRM1 (0.64) | OPRM1KCNH2GRIN2DGRIN3BCHRM2 | |
| SCHEMBL11289324 | 0.78 | AKR1C1 (0.48) | OPRM1OPRK1OPRD1HSD11B1 | |
| SCHEMBL26135641 | 0.78 | AKR1C1 (0.44) | OPRM1OPRK1OPRD1DRD3HSD11B1 | |
| SCHEMBL16418420 | 0.78 | OPRM1 (0.63) | OPRM1KCNH2GRIN2DGRIN3BCHRM2 | |
| SCHEMBL11275197 | 0.77 | AKR1C1 (0.47) | HSD11B1 | |
| SCHEMBL5698830 | 0.76 | OPRL1 (0.56) | OPRM1CHRM2ALDH1A1OPRL1 | |
| SCHEMBL10131784 | 0.75 | OPRM1 (0.61) | OPRM1KCNH2GRIN2DGRIN3BCHRM2 | |
| Budipine SCHEMBL120041 | 0.74 | OPRM1 (1.00) | OPRM1KCNH2GRIN2DGRIN3BCHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115340545-A | Bicyclic heteroaryl derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2022-11-15 | — | — | CN | disclosed |