Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DEGS1 | O15121 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 5/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 3/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5368190 | 0.89 | EPHX2 (0.52) | ALDH1A1KDM1AMAOBMAOAEPHX2 | |
| SCHEMBL5362652 | 0.82 | AKT1 (0.41) | ALDH1A1SMYD3CDK2AKT1 | |
| SCHEMBL5353674 | 0.77 | KDM1A (0.45) | ALDH1A1MAPTMAPK1TDP1KDM1A | |
| SCHEMBL5360331 | 0.77 | SCN3A (0.39) | DEGS1KDM1AMAOBMAOASMYD3 | |
| SCHEMBL5362924 | 0.77 | KMT2A (0.41) | ALDH1A1KDM4ETDP1SMYD3CDK2 | |
| SCHEMBL5371022 | 0.76 | KMT2A (0.49) | KDM4EMAPTSMYD3CDK2AKT1 | |
| SCHEMBL5367918 | 0.76 | ALDH1A1 (0.41) | ALDH1A1MAPTKDM1ASMYD3CDK2 | |
| SCHEMBL5364811 | 0.73 | MEN1 (0.42) | ALDH1A1KDM4ESMYD3CDK2AKT1 | |
| SCHEMBL5371067 | 0.71 | NPC1 (0.42) | SMYD3CDK2AKT1 | |
| SCHEMBL5366087 | 0.71 | HPGD (0.44) | ALDH1A1MAPTSMYD3HPGD |
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 |