Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7908299 | 1.00 | GRIN2B (0.44) | GRIN2BHRH4HRH3JAK2JAK1 | |
| SCHEMBL7914854 | 0.87 | YTHDC1 (0.46) | GRIN2BSIGMAR1ALDH1A1 | |
| Oxalic Acid SCHEMBL7916381 | 0.80 | JAK2 (0.41) | GRIN2BJAK2JAK1SLC18A3AGTR2 | |
| Oxalic Acid SCHEMBL7908151 | 0.79 | JAK2 (0.43) | GRIN2BJAK2JAK1SLC18A3AGTR2 | |
| Oxalic Acid SCHEMBL7908156 | 0.79 | JAK2 (0.43) | GRIN2BJAK2JAK1SLC18A3AGTR2 | |
| SCHEMBL3375289 | 0.79 | GRIN2B (0.61) | GRIN2BHRH4HRH3SLC18A3DDB1 | |
| SCHEMBL19102407 | 0.76 | GRIN2B (0.52) | GRIN2BHRH4HRH3SLC18A3DDB1 | |
| SCHEMBL19390970 | 0.76 | GRIN2B (0.52) | GRIN2BHRH4HRH3SLC18A3DDB1 | |
| SCHEMBL7908155 | 0.75 | JAK2 (0.43) | GRIN2BJAK2JAK1SLC18A3AGTR2 | |
| SCHEMBL7908154 | 0.75 | JAK2 (0.43) | GRIN2BJAK2JAK1SLC18A3AGTR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6211219-B1 | DRUGS, ANALGESICS AND AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2001-04-03 | — | — | US | disclosed |
| EP-0923572-A1 | AMINOCYCLOHEXANE DERIVATIVES AS 5-HT RECEPTOR AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998003504-A1 | AMINOCYCLOHEXANE DERIVATIVES AS 5-HT RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1998-01-29 | — | — | WO | disclosed |