Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL7980139 | 1.00 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL5724843 | 0.78 | CYP1A2 (0.32) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL5724840 | 0.78 | CYP1A2 (0.32) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL5725727 | 0.73 | NPC1 (0.33) | NPC1RAB9ASMN1; SMN2TP53MAPT | |
| SCHEMBL5724732 | 0.67 | DHODH (0.34) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| Bromide SCHEMBL5725876 | 0.67 | LMNA (0.36) | NPC1RAB9ASMN1; SMN2KMT2ADHODH | |
| SCHEMBL27923823 | 0.63 | L3MBTL1 (0.42) | RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL5950982 | 0.62 | L3MBTL1 (0.52) | SMN1; SMN2MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1066001 | 0.61 | L3MBTL1 (0.55) | SMN1; SMN2MEN1KMT2A | |
| SCHEMBL5724839 | 0.57 | CHRM3 (0.45) | SMN1; SMN2 |
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 |