Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.36 |
| ▸ | LDHA | P00338 | 2/20 | 0.36 |
| ▸ | LDHB | P07195 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PDE2A | O00408 | 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 | |
|---|---|---|---|---|
| SCHEMBL681594 | 1.00 | CA1 (0.38) | CA1CA2PSEN1PSEN2APH1B | |
| SCHEMBL681195 | 0.85 | PSEN1 (0.40) | CA1CA2PSEN1PSEN2APH1B | |
| SCHEMBL679682 | 0.85 | PSEN1 (0.40) | CA1CA2PSEN1PSEN2APH1B | |
| SCHEMBL681163 | 0.85 | TACR1 (0.37) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL681259 | 0.84 | ADRB2 (0.40) | CA1CA2PSEN1PSEN2APH1B | |
| SCHEMBL684568 | 0.84 | PSEN1 (0.41) | CA1CA2PSEN1PSEN2APH1B | |
| SCHEMBL12188333 | 0.84 | PSEN1 (0.41) | CA1CA2PSEN1PSEN2APH1B | |
| SCHEMBL680060 | 0.83 | ADRB2 (0.44) | ALDH1A1CYP3A4 | |
| SCHEMBL2738579 | 0.82 | CNR2 (0.42) | CA1CA2PSEN1PSEN2APH1B | |
| SCHEMBL2738513 | 0.82 | CNR2 (0.42) | CA1CA2PSEN1PSEN2APH1B |
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 |
|---|---|---|---|---|---|---|---|
| US-8063050-B2 | Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors | ARRAY BIOPHARMA INC. (US) | 2011-11-22 | — | — | US | disclosed |