Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 10/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5353981 | 1.00 | SIGMAR1 (0.48) | SIGMAR1HRH3ACACBFFAR1GRIN2B | |
| SCHEMBL5356599 | 0.91 | SIGMAR1 (0.46) | SIGMAR1HRH3GRIN2B | |
| SCHEMBL5796501 | 0.91 | SIGMAR1 (0.46) | SIGMAR1HRH3GRIN2B | |
| SCHEMBL5353276 | 0.91 | SIGMAR1 (0.46) | SIGMAR1HRH3ACACBGRIN2B | |
| SCHEMBL5346405 | 0.90 | VNN1 (0.49) | SIGMAR1HRH3GRIN2B | |
| SCHEMBL5353726 | 0.90 | GRIN2B (0.50) | SIGMAR1HRH3GRIN2B | |
| SCHEMBL5354407 | 0.87 | GRIN2B (0.59) | SIGMAR1HRH3GRIN2B | |
| SCHEMBL5778248 | 0.87 | SIGMAR1 (0.51) | SIGMAR1HRH3GRIN2B | |
| SCHEMBL5366030 | 0.87 | SIGMAR1 (0.51) | SIGMAR1HRH3GRIN2B | |
| SCHEMBL5345695 | 0.87 | SIGMAR1 (0.51) | SIGMAR1HRH3GRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1379520-B1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO INC (US) | 2006-04-26 | — | — | EP | disclosed |