Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | PDE2A | O00408 | 6/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.40 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL836794 | 1.00 | CES2 (0.46) | CES2CES1CNR2PDE2AAKR1C3 | |
| SCHEMBL836793 | 1.00 | CES2 (0.46) | CES2CES1CNR2PDE2AAKR1C3 | |
| SCHEMBL15821803 | 0.84 | ALDH1A1 (0.41) | CES2AKR1C3AKR1C2PSEN1PSEN2 | |
| SCHEMBL4234698 | 0.84 | ALDH1A1 (0.41) | CES2AKR1C3AKR1C2PSEN1PSEN2 | |
| SCHEMBL4234694 | 0.84 | ALDH1A1 (0.41) | CES2AKR1C3AKR1C2PSEN1PSEN2 | |
| SCHEMBL16163871 | 0.81 | ALDH1A1 (0.45) | CNR2ALDH1A1ASAH1ACER2CYP3A4 | |
| SCHEMBL24298281 | 0.81 | PPARG (0.46) | CES2CES1CNR2PDE2ACYP3A4 | |
| SCHEMBL850983 | 0.81 | PPARG (0.46) | CES2CES1CNR2PDE2ACYP3A4 | |
| SCHEMBL24298276 | 0.81 | PPARG (0.46) | CES2CES1CNR2PDE2ACYP3A4 | |
| SCHEMBL3641957 | 0.81 | PPARG (0.46) | CES2CES1CNR2PDE2ACYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2167504-A2 | THIADIAZOLE MODULATORS OF PKB | Amgen, Inc (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2009011871-A2 | THIADIAZOLE MODULATORS OF PKB | AMGEN INC. (US) | 2009-01-22 | — | — | WO | disclosed |