Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.31 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.30 |
| ▸ | DRD3 | P35462 | 3/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.30 |
| ▸ | HTR1A | P08908 | 2/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28613140 | 0.84 | PTGES2 (0.32) | PTGES2 | |
| SCHEMBL22280042 | 0.72 | CYP2D6 (0.32) | RAB9ACYP2D6HSD17B10ALDH1A1CYP2C19 | |
| SCHEMBL22266027 | 0.70 | KEAP1 (0.41) | HSD17B10ALDH1A1TDP1LMNAKMT2A | |
| SCHEMBL22266023 | 0.70 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL25014616 | 0.69 | KCNN4 (0.37) | HSD17B10OPRM1MEN1KMT2A | |
| SCHEMBL22280136 | 0.68 | SFRP1 (0.33) | RAB9AALDH1A1HTR2AHRH1LMNA | |
| SCHEMBL21962888 | 0.68 | GAA (0.38) | ALDH1A1SLC6A3ADRA1ATBXA2RLMNA | |
| SCHEMBL21962953 | 0.67 | LMNA (0.41) | HSD17B10ALDH1A1TDP1LMNATSHR | |
| SCHEMBL21962948 | 0.65 | LMNA (0.39) | RAB9AALDH1A1TDP1LMNATSHR | |
| SCHEMBL21962605 | 0.64 | NR1I2 (0.39) | CYP2D6ALDH1A1CYP2C19TDP1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113316566-A | Compounds and compositions for treating conditions associated with NLRP activity | 诺华股份有限公司 | 2021-08-27 | — | — | CN | disclosed |