Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2718591 | 0.84 | PDE2A (0.52) | PDE2A | |
| SCHEMBL10290993 | 0.84 | NPC1 (0.39) | NPC1POLBRAB9ATDP1ADORA3 | |
| SCHEMBL2713828 | 0.83 | LMNA (0.45) | NPC1RAB9AALDH1A1LMNAPDE2A | |
| SCHEMBL2716055 | 0.80 | GPR139 (0.47) | NPC1POLBRAB9ATDP1LMNA | |
| SCHEMBL2716053 | 0.80 | GPR139 (0.47) | NPC1POLBRAB9ATDP1LMNA | |
| SCHEMBL2716878 | 0.79 | MAPK1 (0.38) | NPC1POLBRAB9ATDP1ADORA3 | |
| SCHEMBL2717586 | 0.79 | ACACB (0.40) | NPC1POLBRAB9ATDP1ALDH1A1 | |
| SCHEMBL2715471 | 0.79 | NR1I2 (0.38) | NPC1POLBRAB9ATDP1ADORA3 | |
| SCHEMBL18266123 | 0.79 | NPC1 (0.41) | NPC1POLBRAB9ATDP1ADORA3 | |
| SCHEMBL18266582 | 0.79 | ALDH1A1 (0.52) | ADORA3ADORA1ALDH1A1ADORA2ALMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012053186-A1 | ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC. (JP) | 2012-04-26 | — | — | WO | disclosed |