Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 14/20 | 1.00 |
| ▸ | GRIN1 | Q05586 | 5/20 | 1.00 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | PLG | P00747 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.44 |
| ▸ | KLK1 | P06870 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7412372 | 0.79 | GRIN2B (1.00) | GRIN2BGRIN1 | |
| SCHEMBL4023670 | 0.73 | TAAR1 (0.73) | GRIN2BGRIN1TAAR1HTR3EHTR3B | |
| SCHEMBL5068041 | 0.72 | TAAR1 (0.66) | GRIN2BGRIN1TAAR1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL4797248 | 0.71 | TAAR1 (0.64) | GRIN2BGRIN1TAAR1NPC1RAB9A | |
| SCHEMBL103278 | 0.70 | GRIN1 (0.59) | GRIN2BGRIN1NPC1HSP90AA1RAB9A | |
| SCHEMBL29786166 | 0.70 | GRIN1 (0.59) | GRIN2BGRIN1NPC1HSP90AA1RAB9A | |
| SCHEMBL7035626 | 0.70 | GRIN1 (0.59) | GRIN2BGRIN1NPC1HSP90AA1RAB9A | |
| SCHEMBL11588057 | 0.68 | TAAR1 (0.59) | GRIN2BGRIN1TAAR1NPC1RAB9A | |
| SCHEMBL7979447 | 0.68 | GRIN1 (0.51) | GRIN2BGRIN1NPC1RAB9AF2 | |
| SCHEMBL31622512 | 0.66 | HDAC3 (0.58) | GRIN2BGRIN1NPC1RAB9A |
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-6319944-B1 | NMDA NR2B ANTAGONISTS; NEUROLOGICAL AND NEURODEGENERATIVE DISEASES INCLUDING PAIN, (AND IN PARTICULAR NEUROPATHIC PAIN), EPILEPSY, STROKE, ANXIETY, CEREBRAL ISCHEMIA, MUSCULAR SPASMS, ALZHEIMER'S, HUNTINGTON'S AND PARKINSON'S DISEASES | MERCK & CO., INC. | 2001-11-20 | — | — | US | claimed |
| US-6319944-B1 | NMDA NR2B ANTAGONISTS; NEUROLOGICAL AND NEURODEGENERATIVE DISEASES INCLUDING PAIN, (AND IN PARTICULAR NEUROPATHIC PAIN), EPILEPSY, STROKE, ANXIETY, CEREBRAL ISCHEMIA, MUSCULAR SPASMS, ALZHEIMER'S, HUNTINGTON'S AND PARKINSON'S DISEASES | MERCK & CO., INC. | 2001-11-20 | — | — | US | disclosed |