Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | AKT1 | P31749 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5367918 | 0.89 | ALDH1A1 (0.41) | KMT2AAKT1RAB9AMAPTNPC1 | |
| SCHEMBL5366736 | 0.85 | AKT1 (0.42) | AKT1RAB9ANPC1SMYD3 | |
| SCHEMBL5370713 | 0.85 | CTSL (0.42) | KMT2AMEN1SMYD3ITGB3ITGA2B | |
| SCHEMBL5362898 | 0.85 | SMYD3 (0.43) | KMT2AHPGDRAB9AMAPTNPC1 | |
| SCHEMBL5366087 | 0.81 | HPGD (0.44) | KMT2AHTTHPGDRAB9AMAPT | |
| SCHEMBL5362924 | 0.75 | KMT2A (0.41) | KMT2AAKT1HTTHPGDMEN1 | |
| SCHEMBL5371022 | 0.74 | KMT2A (0.49) | KMT2AAKT1RAB9AMAPTNPC1 | |
| SCHEMBL5364811 | 0.71 | MEN1 (0.42) | KMT2AAKT1HTTHPGDRAB9A | |
| SCHEMBL1076282 | 0.71 | MMP1 (0.49) | MAPTITGB3ITGA2B | |
| SCHEMBL5371067 | 0.68 | NPC1 (0.42) | AKT1RAB9ANPC1CDK2SMYD3 |
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 |