Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | CDC42 | P60953 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7983341 | 1.00 | NPC1 (0.34) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL5724840 | 0.85 | CYP1A2 (0.32) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL7980246 | 0.81 | HTR1A (0.32) | — | |
| SCHEMBL5724890 | 0.81 | HTR1A (0.32) | — | |
| SCHEMBL7980139 | 0.81 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL5725727 | 0.80 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| Bromide SCHEMBL5725879 | 0.75 | LMNA (0.36) | NPC1RAB9ASMN1; SMN2GAA | |
| Bromide SCHEMBL5725876 | 0.75 | LMNA (0.36) | NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL5725809 | 0.74 | DHODH (0.35) | NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL5724732 | 0.73 | DHODH (0.34) | NPC1RAB9ASMN1; SMN2GAA |
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-6174909-B1 | FOR TREATING ANALGESIA, PSYCHOSIS, CONVULSIONS, EPILEPSY, ANXIETY, MUSCULAR AND MOVEMENT DISORDERS, SPASTIC DISORDERS OR SYMPTOMS OF HUNTINGTON'S OR PARKINSONS DISEASE | H. LUNDBECK A/S (DK) | 2001-01-16 | — | — | US | disclosed |
| US-5998613-A | PSYCHOLOGICAL DISORDERS; ANALGESICS; ANTICONVULSANTS | H. LUNDBECK A/S (DK) | 1999-12-07 | — | — | US | disclosed |