Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 2/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6001610 | 0.83 | PARP1 (0.50) | PTGS1MEN1KMT2A | |
| SCHEMBL14415635 | 0.82 | NPC1 (0.59) | RAB9APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL6001349 | 0.78 | PARP1 (0.46) | RAB9ALMNAHTTNPC1PKM | |
| SCHEMBL14415619 | 0.78 | PARP1 (0.46) | RAB9ALMNAHTTNPC1PKM | |
| SCHEMBL6001346 | 0.78 | PARP1 (0.46) | RAB9ALMNAHTTNPC1PKM | |
| SCHEMBL5520271 | 0.77 | RAB9A (0.61) | CYP1A2RAB9ALMNAMAPK1HTT | |
| SCHEMBL5999478 | 0.72 | MTNR1A (0.60) | RAB9APDE4APDE4BPDE4CPDE4D | |
| SCHEMBL30622701 | 0.68 | HTT (0.65) | CYP1A2RAB9ALMNAMAPK1HTT | |
| SCHEMBL6582492 | 0.68 | HTT (0.65) | CYP1A2RAB9ALMNAMAPK1HTT | |
| SCHEMBL8050011 | 0.68 | HTT (0.65) | CYP1A2RAB9ALMNAMAPK1HTT |
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-7268166-B2 | Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases | NPS PHARMACEUTICALS, INC. (US) | 2007-09-11 | — | — | US | disclosed |
| US-7268166-B2 | Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases | NPS PHARMACEUTICALS, INC. (US) | 2007-09-11 | — | — | US | disclosed |