Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | USP9X | Q93008 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2641788 | 1.00 | ALDH1A1 (0.52) | ALDH1A1HPGDUSP9XCYP2D6CYP2C9 | |
| SCHEMBL2641859 | 0.84 | CYP2D6 (0.43) | ALDH1A1HPGDCYP2D6CYP2C9TSHR | |
| SCHEMBL2641932 | 0.84 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP2D6CYP2C9TSHR | |
| SCHEMBL2641898 | 0.84 | CYP2D6 (0.43) | ALDH1A1HPGDCYP2D6CYP2C9TSHR | |
| SCHEMBL2641927 | 0.84 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP2D6CYP2C9TSHR | |
| SCHEMBL2641891 | 0.84 | CYP2D6 (0.43) | ALDH1A1HPGDCYP2D6CYP2C9TSHR | |
| SCHEMBL2641863 | 0.84 | CYP2D6 (0.43) | ALDH1A1HPGDCYP2D6CYP2C9TSHR | |
| SCHEMBL2641786 | 0.80 | MAPT (0.43) | ALDH1A1HPGDCYP2D6CYP2C9TSHR | |
| SCHEMBL2641779 | 0.80 | MAPT (0.43) | ALDH1A1HPGDCYP2D6CYP2C9TSHR | |
| SCHEMBL2641827 | 0.78 | HDAC1 (0.44) | ALDH1A1HPGDCYP2D6CYP2C9TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011141515-A1 | DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-11-17 | — | — | WO | claimed |
| WO-2011141515-A1 | DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-11-17 | — | — | WO | disclosed |