Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 4/20 | 0.33 |
| ▸ | TDP2 | O95551 | 2/20 | 0.31 |
| ▸ | PDE1A | P54750 | 1/20 | 0.30 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.30 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12898108 | 0.81 | OPRM1 (0.51) | SMN1; SMN2OPRM1OPRL1 | |
| SCHEMBL9409501 | 0.74 | MAPT (0.45) | SMN1; SMN2 | |
| SCHEMBL2283567 | 0.71 | AR (0.41) | SMN1; SMN2OPRM1OPRL1 | |
| SCHEMBL16971269 | 0.70 | OPRM1 (0.38) | SMN1; SMN2OPRM1OPRL1CYP19A1TDP2 | |
| SCHEMBL25245033 | 0.69 | OPRM1 (0.40) | OPRM1HTR6 | |
| SCHEMBL31316550 | 0.68 | OPRD1 (0.44) | — | |
| SCHEMBL11659909 | 0.68 | SMN1; SMN2 (0.41) | SMN1; SMN2OPRM1OPRL1PDE1APDE1B | |
| SCHEMBL11840395 | 0.68 | CYP19A1 (0.34) | CYP19A1HTR6CNR1TDP2 | |
| SCHEMBL29036149 | 0.66 | OPRM1 (0.38) | OPRM1 | |
| SCHEMBL665550 | 0.65 | KCNH2 (0.46) | OPRM1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117751113-A | Aromatic acetylene derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-03-22 | — | — | CN | disclosed |
| WO-2023011573-A1 | AROMATIC ACETYLENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 浙江海正药业股份有限公司 | 2023-02-09 | — | — | WO | disclosed |
| WO-2023011573-A1 | AROMATIC ACETYLENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 浙江海正药业股份有限公司 | 2023-02-09 | — | — | WO | disclosed |