Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31009227 | 0.90 | HMGCR (0.35) | KDM4EGAAHMGCRCHRM1TBXA2R | |
| SCHEMBL29833657 | 0.88 | KDM4E (0.30) | KDM4EGAA | |
| Methyl Carbamate SCHEMBL29804157 | 0.87 | ALDH1A1 (0.30) | — | |
| SCHEMBL29804218 | 0.86 | HMGCR (0.36) | KDM4EGAAHMGCRCHRM1TBXA2R | |
| SCHEMBL29804509 | 0.86 | GAA (0.35) | GAA | |
| Acetic Acid SCHEMBL29804101 | 0.84 | HMGCR (0.34) | KDM4EGAAHMGCRCHRM1TBXA2R | |
| SCHEMBL29804025 | 0.74 | GAA (0.41) | GAATSHR | |
| Carbamic Acid SCHEMBL18425403 | 0.74 | ACHE (0.37) | GAATSHR | |
| Fluoroacetate SCHEMBL28206660 | 0.73 | MAOA (0.33) | KDM4EGAAHMGCRCHRM1TBXA2R | |
| Acetic Acid SCHEMBL1835057 | 0.72 | FFAR3 (0.39) | GAATSHR |
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-114805365-A | Carrying non-aromatic P2 , Novel macrocyclic form of factor XIA | 百时美施贵宝公司 | 2022-07-29 | — | — | CN | disclosed |