Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL16004128 | 0.86 | PIK3CA (0.49) | PIK3CAKDM4ETDP1HPGDRIPK1 | |
| SCHEMBL16004243 | 0.83 | PIK3CA (0.40) | PIK3CAHPGDRIPK1AOC3 | |
| SCHEMBL16004271 | 0.82 | RIPK1 (0.45) | PIK3CAHPGDRIPK1GAAAOC3 | |
| SCHEMBL16004055 | 0.81 | PIK3CA (0.49) | PIK3CARIPK1 | |
| SCHEMBL16004052 | 0.80 | PIK3CA (0.52) | PIK3CAHPGDRIPK1GAAAOC3 | |
| SCHEMBL16004283 | 0.79 | CREBBP (0.52) | — | |
| SCHEMBL16004282 | 0.77 | GPR142 (0.54) | — | |
| SCHEMBL16004054 | 0.75 | PIK3CA (0.49) | PIK3CAHPGDRIPK1AOC3 | |
| SCHEMBL16004118 | 0.75 | PIK3CA (0.47) | PIK3CARIPK1 | |
| SCHEMBL16004274 | 0.74 | RIPK1 (0.46) | PIK3CAKDM4EHPGDRIPK1GAA |
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 |