Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP4F2 | P78329 | 3/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL239199 | 0.88 | TDP1 (0.65) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 | |
| SCHEMBL1807040 | 0.83 | GRIN2D (0.42) | ALDH1A1MAPTMEN1KMT2ACYP2D6 | |
| SCHEMBL2138580 | 0.81 | TDP1 (0.56) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 | |
| SCHEMBL19747987 | 0.81 | ENPP2 (0.50) | ACMSDNOS3NOS1NOS2GRIN2D | |
| SCHEMBL15250083 | 0.81 | TDP1 (0.56) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 | |
| SCHEMBL5546859 | 0.79 | MAOA (0.56) | TDP1ALDH1A1GAAMAPTMEN1 | |
| SCHEMBL18761741 | 0.78 | TDP1 (0.48) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 | |
| SCHEMBL23120606 | 0.77 | ENPP2 (0.56) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 | |
| SCHEMBL3812842 | 0.77 | TDP1 (0.52) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 | |
| SCHEMBL1247008 | 0.77 | CYP4F2 (0.55) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 |
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-2459572-A2 | SPIROCYCLIC AMIDE DERIVATIVES | AstraZeneca AB (SE) | 2012-06-06 | — | — | EP | disclosed |
| WO-2011012896-A2 | COMPOUNDS - 801 | ASTRAZENECA AB (SE) | 2011-02-03 | — | — | WO | disclosed |