Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 5/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 2/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5374669 | 0.85 | MAOA (0.32) | MAOAOPRD1OPRM1 | |
| SCHEMBL5371067 | 0.78 | NPC1 (0.42) | SMYD3OPRD1AKT1CDK2 | |
| SCHEMBL5368815 | 0.76 | CA2 (0.41) | ALDH1A1 | |
| SCHEMBL5368051 | 0.76 | NPC1 (0.45) | IDO1AKT1CYP2D6 | |
| SCHEMBL5359885 | 0.76 | SMYD3 (0.37) | SMYD3IDO1OPRD1AKT1CDK2 | |
| SCHEMBL5378282 | 0.73 | CTSL (0.42) | — | |
| SCHEMBL5370680 | 0.70 | KMT2A (0.44) | SMYD3OPRD1OPRM1AKT1CDK2 | |
| SCHEMBL5360331 | 0.69 | SCN3A (0.39) | SMYD3MAOAOPRD1AKT1CDK2 | |
| SCHEMBL20601164 | 0.69 | CTSL (0.47) | ALDH1A1MEN1KMT2A | |
| SCHEMBL20601057 | 0.69 | IDO1 (0.47) | IDO1AKT1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |