Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29033546 | 0.85 | BRD4 (0.40) | OPRM1OPRD1OPRK1BRD4PGR | |
| SCHEMBL26956222 | 0.73 | BRD4 (0.42) | BRD4GABRA1GABRB2PDE4BBACE1 | |
| SCHEMBL26956225 | 0.73 | BRD4 (0.42) | BRD4PDE4BBACE1TP53MAPT | |
| SCHEMBL29516233 | 0.73 | BRD4 (0.42) | BRD4PDE4BBACE1TP53MAPT | |
| Oxirane SCHEMBL29015700 | 0.73 | KDM4E (0.38) | OPRM1OPRD1OPRK1CYP1A2CYP3A4 | |
| SCHEMBL1655895 | 0.72 | NOTUM (0.43) | MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL17099543 | 0.72 | NPC1 (0.36) | OPRM1OPRD1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31711769 | 0.68 | BRD4 (0.41) | OPRM1OPRD1OPRK1BRD4CYP1A2 | |
| SCHEMBL13043712 | 0.68 | KMT2A (0.39) | OPRM1OPRD1OPRK1BRD4GABRA1 | |
| SCHEMBL29033541 | 0.68 | ALDH1A1 (0.47) | OPRM1MAPTSMN1; SMN2 |
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-117999259-A | Iron death modulators, their preparation and use | 维泰瑞隆有限公司 | 2024-05-07 | — | — | CN | disclosed |