Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 4/20 | 0.38 |
| ▸ | P2RX2 | Q9UBL9 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGDS | O60760 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4550460 | 0.84 | NPC1 (0.42) | NPC1POLBRAB9ATDP1ADORA3 | |
| SCHEMBL2717586 | 0.83 | ACACB (0.40) | NPC1POLBRAB9ATDP1P2RX3 | |
| SCHEMBL2716878 | 0.83 | MAPK1 (0.38) | NPC1POLBRAB9ATDP1ADORA3 | |
| SCHEMBL2715471 | 0.83 | NR1I2 (0.38) | NPC1POLBRAB9ATDP1ADORA3 | |
| SCHEMBL2713996 | 0.82 | EPHX2 (0.40) | P2RX3P2RX2NR1I2CYP2C9 | |
| SCHEMBL2715036 | 0.81 | NR1I2 (0.39) | P2RX3P2RX2ALDH1A1NR1I2CYP2C9 | |
| SCHEMBL2716275 | 0.81 | EPHX2 (0.39) | P2RX3P2RX2NR1I2CYP2C9ACACB | |
| SCHEMBL2713943 | 0.81 | SCN9A (0.37) | P2RX3P2RX2ALDH1A1NR1I2CYP2C9 | |
| SCHEMBL2714167 | 0.80 | SCN9A (0.36) | P2RX3P2RX2ALDH1A1NR1I2CYP2C9 | |
| SCHEMBL2713828 | 0.79 | LMNA (0.45) | NPC1RAB9AP2RX3P2RX2ALDH1A1 |
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 |