Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5362898 | 0.89 | SMYD3 (0.43) | ALDH1A1MAPTSMYD3MEN1NPC1 | |
| SCHEMBL5366736 | 0.89 | AKT1 (0.42) | SMYD3AKT1NPC1RAB9A | |
| SCHEMBL5370713 | 0.89 | CTSL (0.42) | SMYD3MEN1KMT2ARXFP1ITGB3 | |
| SCHEMBL5370964 | 0.89 | KMT2A (0.46) | MAPTSMYD3CDK2AKT1MEN1 | |
| SCHEMBL5366087 | 0.85 | HPGD (0.44) | ALDH1A1MAPTSMYD3MEN1NPC1 | |
| SCHEMBL5362924 | 0.81 | KMT2A (0.41) | ALDH1A1SMYD3CDK2AKT1MEN1 | |
| SCHEMBL5371022 | 0.80 | KMT2A (0.49) | MAPTSMYD3CDK2AKT1MEN1 | |
| SCHEMBL5364811 | 0.80 | MEN1 (0.42) | ALDH1A1SMYD3CDK2AKT1MEN1 | |
| SCHEMBL5366188 | 0.76 | DEGS1 (0.44) | ALDH1A1MAPTSMYD3CDK2AKT1 | |
| SCHEMBL5371067 | 0.74 | NPC1 (0.42) | SMYD3CDK2AKT1NPC1RAB9A |
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 |