Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP4F2 | P78329 | 5/20 | 0.47 |
| ▸ | CYP4A11 | Q02928 | 5/20 | 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 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | 0.83 | TDP1 (0.65) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 | |
| SCHEMBL12186118 | 0.81 | — | — | |
| Water SCHEMBL27737065 | 0.79 | ENPP2 (0.48) | ACMSDNOS3NOS1NOS2 | |
| SCHEMBL27905938 | 0.77 | TDP1 (0.52) | TDP1ALDH1A1TAAR1DRD2DRD1 | |
| SCHEMBL37877 | 0.77 | TAAR1 (0.63) | TDP1CYP4F2CYP4A11TAAR1DRD2 | |
| SCHEMBL11949748 | 0.77 | CNR1 (0.42) | TAAR1DRD2DRD1 | |
| SCHEMBL2138580 | 0.76 | TDP1 (0.56) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 | |
| SCHEMBL15250083 | 0.76 | TDP1 (0.56) | TDP1CYP4F2CYP4A11KDM4EALDH1A1 | |
| SCHEMBL10283887 | 0.75 | KEAP1 (0.61) | SIRT1 | |
| SCHEMBL30430665 | 0.74 | DRD2 (0.65) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008040441-A2 | SILICON DERIVATIVES FOR PET IMAGING | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-04-10 | — | — | WO | disclosed |