Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 5/20 | 0.37 |
| ▸ | AKT1 | P31749 | 3/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
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 | 0.82 | NPC1 (0.42) | SMYD3AKT1CDK2CA1CA2 | |
| SCHEMBL5368815 | 0.78 | CA2 (0.41) | CA1CA2CTSL | |
| SCHEMBL5368051 | 0.78 | NPC1 (0.45) | AKT1MAPTCA2IDO1 | |
| SCHEMBL5378282 | 0.77 | CTSL (0.42) | CA1CA2ACECTSL | |
| SCHEMBL5364572 | 0.76 | SMYD3 (0.37) | SMYD3AKT1CDK2MEN1KMT2A | |
| SCHEMBL5360331 | 0.75 | SCN3A (0.39) | SMYD3AKT1CDK2OPRD1 | |
| SCHEMBL5370680 | 0.74 | KMT2A (0.44) | SMYD3AKT1CDK2MEN1KMT2A | |
| SCHEMBL20600949 | 0.69 | CTSL (0.46) | SMYD3AKT1CDK2MEN1KMT2A | |
| SCHEMBL20601005 | 0.68 | CTSL (0.47) | MEN1KMT2ACTSL | |
| SCHEMBL20601057 | 0.68 | IDO1 (0.47) | AKT1POLBIDO1 |
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 |