Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | 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 |
| ▸ | MMP1 | P03956 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | MMP9 | P14780 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2641891 | 1.00 | CYP2D6 (0.43) | CYP2D6CYP2C9TSHRCYP2C19CYP1A2 | |
| SCHEMBL2641795 | 0.84 | ALDH1A1 (0.52) | CYP2D6CYP2C9TSHRCYP2C19CYP1A2 | |
| SCHEMBL2641927 | 0.84 | ALDH1A1 (0.44) | CYP2D6CYP2C9TSHRCYP2C19CYP1A2 | |
| SCHEMBL2641859 | 0.84 | CYP2D6 (0.43) | CYP2D6CYP2C9TSHRCYP2C19CYP1A2 | |
| SCHEMBL2641863 | 0.84 | CYP2D6 (0.43) | CYP2D6CYP2C9TSHRCYP2C19CYP1A2 | |
| SCHEMBL2641932 | 0.84 | ALDH1A1 (0.44) | CYP2D6CYP2C9TSHRCYP2C19CYP1A2 | |
| SCHEMBL2641788 | 0.84 | ALDH1A1 (0.52) | CYP2D6CYP2C9TSHRCYP2C19CYP1A2 | |
| SCHEMBL2641786 | 0.80 | MAPT (0.43) | CYP2D6CYP2C9TSHRCYP2C19CYP1A2 | |
| SCHEMBL2641779 | 0.80 | MAPT (0.43) | CYP2D6CYP2C9TSHRCYP2C19CYP1A2 | |
| SCHEMBL2641913 | 0.78 | HDAC3 (0.43) | CYP2D6CYP2C9TSHRCYP2C19CYP1A2 |
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-2011141515-A1 | DIAGNOSTIC AGENTS FOR AMYLOID BETA IMAGING | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-11-17 | — | — | WO | disclosed |