Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 4/20 | 0.43 |
| ▸ | GSK3B | P49841 | 4/20 | 0.43 |
| ▸ | AR | P10275 | 4/20 | 0.42 |
| ▸ | KDM1A | O60341 | 2/20 | 0.40 |
| ▸ | F10 | P00742 | 2/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.39 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.39 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5378502 | 1.00 | SIGMAR1 (0.43) | SIGMAR1ACHEGSK3BARKDM1A | |
| SCHEMBL5368483 | 0.91 | ACHE (0.45) | SIGMAR1ACHEGSK3BARKDM1A | |
| SCHEMBL14425292 | 0.91 | ACHE (0.45) | SIGMAR1ACHEGSK3BARKDM1A | |
| SCHEMBL14425284 | 0.88 | SIGMAR1 (0.51) | SIGMAR1ACHEGSK3BKDM1AACACB | |
| SCHEMBL5362644 | 0.88 | SIGMAR1 (0.51) | SIGMAR1ACHEGSK3BKDM1AACACB | |
| SCHEMBL14425290 | 0.80 | DPP4 (0.46) | SIGMAR1AR | |
| SCHEMBL5353451 | 0.79 | GRIN2B (0.57) | SIGMAR1 | |
| SCHEMBL2863458 | 0.79 | TAS1R3 (0.53) | ARACACBACACAHDAC3HDAC4 | |
| SCHEMBL5352378 | 0.77 | SIGMAR1 (0.50) | SIGMAR1 | |
| SCHEMBL5347589 | 0.77 | SIGMAR1 (0.50) | SIGMAR1 |
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 2 patents. 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 |
| US-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |