Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL16004143 | 0.84 | LMNA (0.43) | LMNAGAAALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL16004095 | 0.84 | LMNA (0.43) | LMNAGAAALDH1A1HRH3HTT | |
| SCHEMBL16003974 | 0.84 | HRH3 (0.52) | LMNAGAAHRH3 | |
| SCHEMBL16003983 | 0.84 | GAA (0.43) | LMNAGAAALDH1A1HRH3CHRM2 | |
| SCHEMBL16004140 | 0.83 | LMNA (0.44) | LMNAGAAALDH1A1CHRM2CHRM3 | |
| SCHEMBL16003993 | 0.80 | GAA (0.51) | LMNAGAAALDH1A1HTTCYP1A2 | |
| SCHEMBL16004056 | 0.79 | LMNA (0.47) | LMNAGAAALDH1A1CHRM2CHRM3 | |
| SCHEMBL16004238 | 0.76 | ABCB1 (0.47) | GAAALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL16004320 | 0.73 | GPR142 (0.51) | LMNAALDH1A1 | |
| SCHEMBL16004001 | 0.73 | GPR142 (0.49) | LMNAALDH1A1 |
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 |