Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 8/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 5/20 | 0.36 |
| ▸ | MAOA | P21397 | 3/20 | 0.36 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL5371067 | 0.80 | NPC1 (0.42) | SMYD3CDK2AKT1OPRD1 | |
| SCHEMBL5366188 | 0.77 | DEGS1 (0.44) | KDM1ASMYD3CDK2AKT1MAOB | |
| SCHEMBL5370680 | 0.76 | KMT2A (0.44) | SMYD3CDK2AKT1OPRD1 | |
| SCHEMBL5359885 | 0.75 | SMYD3 (0.37) | SMYD3CDK2AKT1OPRD1 | |
| SCHEMBL5378282 | 0.74 | CTSL (0.42) | — | |
| SCHEMBL20600949 | 0.72 | CTSL (0.46) | SMYD3CDK2AKT1OPRD1 | |
| SCHEMBL5362924 | 0.72 | KMT2A (0.41) | SMYD3CDK2AKT1OPRD1 | |
| SCHEMBL5368051 | 0.71 | NPC1 (0.45) | AKT1 | |
| SCHEMBL5368815 | 0.71 | CA2 (0.41) | — | |
| SCHEMBL5367918 | 0.71 | ALDH1A1 (0.41) | KDM1ASMYD3CDK2AKT1 |
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 |