Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | 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 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7412370 | 0.79 | HPGD (0.54) | GRIN1GRIN2BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3583496 | 0.79 | NPC1 (0.51) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL31622512 | 0.74 | HDAC3 (0.58) | GRIN1GRIN2BNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL26106538 | 0.74 | SMN1; SMN2 (0.51) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL26108291 | 0.74 | SMN1; SMN2 (0.45) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL3030085 | 0.73 | HDAC8 (0.61) | NPC1RAB9ASMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL5068038 | 0.71 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL4023664 | 0.71 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL15928202 | 0.71 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2TP53MEN1 | |
| SCHEMBL1821001 | 0.70 | PLG (0.59) | SMN1; SMN2TP53F2PLGPLAU |
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 |