Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | AGTR2 | P50052 | 5/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 3/20 | 0.37 |
| ▸ | JAK1 | P23458 | 3/20 | 0.37 |
| ▸ | TYK2 | P29597 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5359791 | 0.86 | GRIN2B (0.44) | ADORA1GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5359788 | 0.86 | GRIN2B (0.44) | ADORA1GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5351078 | 0.80 | GRIN2B (0.63) | GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL5353306 | 0.79 | GRIN2B (0.56) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL6637671 | 0.77 | GRIN2B (0.61) | AGTR2GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL6753016 | 0.71 | POLB (0.48) | SMN1; SMN2NPC1RAB9A | |
| SCHEMBL17453692 | 0.69 | AGTR2 (0.54) | ADORA1AGTR2HTR2CSMN1; SMN2CYP2C19 | |
| SCHEMBL5358459 | 0.69 | GRIN2B (0.60) | GRIN2BCYP2D6CYP2C9CYP3A4SMN1; SMN2 | |
| SCHEMBL25125018 | 0.69 | HTR2C (0.61) | AGTR2HTR2CSMN1; SMN2CYP2C19NPC1 | |
| SCHEMBL25215518 | 0.68 | AGTR2 (0.56) | AGTR2HTR2CSMN1; SMN2CYP2C19NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1379520-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | Merck & Co., Inc. (US) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002068409-A1 | N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS | MERCK & CO., INC. (US) | 2002-09-06 | — | — | WO | disclosed |