Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004095 | 0.88 | LMNA (0.43) | GAAALDH1A1LMNACHRM5CHRM1 | |
| SCHEMBL16003992 | 0.85 | KMT2A (0.45) | ALDH1A1CYP2C19LMNACHRM5CHRM1 | |
| SCHEMBL16003990 | 0.84 | CHRM5 (0.43) | LMNAHSD17B10CHRM5CHRM1KDM4E | |
| SCHEMBL16003983 | 0.84 | GAA (0.43) | GAAALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16003985 | 0.83 | ATM (0.43) | GAAALDH1A1CHRM5CHRM1KDM4E | |
| SCHEMBL16003974 | 0.82 | HRH3 (0.52) | GAALMNAKMT2A | |
| SCHEMBL16003994 | 0.80 | GPR142 (0.60) | ALDH1A1CHRM5CHRM1KDM4EPKM | |
| SCHEMBL16004103 | 0.80 | LMNA (0.44) | GAAALDH1A1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL16003986 | 0.80 | ALDH1A1 (0.42) | ALDH1A1LMNACHRM5CHRM1KDM4E | |
| SCHEMBL16004143 | 0.79 | LMNA (0.43) | GAAALDH1A1CYP2C9LMNAKDM4E |
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-2014133414-A2 | HETEROCYCLIC TGR5 BILE ACID RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR THE PRODUCTION AND USE THEREOF | АЛЛА ХЕМ ЛЛС (US) | 2014-09-04 | — | — | WO | disclosed |