Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5725434 | 0.84 | SIGMAR1 (0.40) | SIGMAR1TBXAS1 | |
| SCHEMBL5724558 | 0.81 | GRIN2B (0.44) | SIGMAR1ALDH1A1 | |
| Bromide SCHEMBL5724922 | 0.81 | GRIN2B (0.43) | SIGMAR1ALDH1A1 | |
| SCHEMBL5725148 | 0.78 | SOS1 (0.40) | ALDH1A1LMNA | |
| Bromide SCHEMBL5726756 | 0.76 | LMNA (0.44) | ALDH1A1LMNA | |
| SCHEMBL5724679 | 0.76 | SIGMAR1 (0.35) | SIGMAR1SLC6A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5724843 | 0.71 | CYP1A2 (0.32) | CYP1A2CYP2C9HSD17B10ALDH1A1 | |
| SCHEMBL7980140 | 0.68 | NPC1 (0.33) | — | |
| SCHEMBL5724638 | 0.66 | HTR2A (0.35) | ALDH1A1 | |
| SCHEMBL27498711 | 0.66 | SLC6A1 (0.46) | SIGMAR1SLC6A1CYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0812318-B1 | 4-AMINOTETRAHYDROBENZISOXAZOLE OR -ISOTHIAZOLE COMPOUNDS | LUNDBECK & CO AS H (DK) | 2006-02-08 | — | — | EP | disclosed |
| 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 |