Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
| ▸ | NUDT1 | P36639 | 4/20 | 0.41 |
| ▸ | PGK1 | P00558 | 2/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20434304 | 0.83 | TLR8 (0.65) | RAB9ANPC1ALDH1A1TLR8MAPK1 | |
| SCHEMBL8873492 | 0.80 | PGK1 (0.40) | RAB9ANPC1ALDH1A1TLR8AURKA | |
| SCHEMBL8347788 | 0.80 | NPC1 (0.47) | RAB9ANPC1ALDH1A1PGK1KCNH2 | |
| SCHEMBL16463778 | 0.79 | NUDT1 (0.60) | RAB9ANPC1ALDH1A1NUDT1GRM4 | |
| SCHEMBL8873249 | 0.78 | TLR8 (0.37) | RAB9ANPC1ALDH1A1TLR8AURKA | |
| SCHEMBL10102121 | 0.77 | TLR8 (0.47) | RAB9ANPC1TLR8AURKAPDPK1 | |
| SCHEMBL151590 | 0.76 | ALDH1A1 (0.59) | RAB9ANPC1ALDH1A1AURKAPDPK1 | |
| SCHEMBL18177432 | 0.76 | DHFR (0.53) | NPC1ALDH1A1MAPK1 | |
| SCHEMBL8630748 | 0.76 | NPC1 (0.56) | RAB9ANPC1ALDH1A1AURKAPDPK1 | |
| SCHEMBL6128303 | 0.76 | TLR8 (0.69) | RAB9ANPC1TLR8AURKAPDPK1 |
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-2018087602-A1 | RESOLUTION OF OPTICALLY ACTIVE DIAZASPIRO[4.5]DECANE DERIVATIVES | ROIVANT SCIENCES GMBH (CH) | 2018-05-17 | — | — | WO | disclosed |