Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 13/20 | 0.63 |
| ▸ | MAPT | P10636 | 8/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.63 |
| ▸ | LMNA | P02545 | 4/20 | 0.63 |
| ▸ | HTT | P42858 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.53 |
| ▸ | MEN1 | O00255 | 8/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6678025 | 0.88 | ALDH1A1 (0.59) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL6682384 | 0.87 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL6677502 | 0.86 | MAPT (0.55) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL6679006 | 0.85 | ALDH1A1 (0.56) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL6677926 | 0.85 | ALDH1A1 (0.54) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL6677470 | 0.83 | KMT2A (0.57) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL6691601 | 0.83 | KMT2A (0.54) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL6679105 | 0.82 | KMT2A (0.56) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL6683302 | 0.82 | MAPT (0.63) | ALDH1A1MAPTKDM4ELMNAHTT | |
| SCHEMBL6679647 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPTKDM4ELMNAHTT |
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-2004043951-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS | CAREX S.A. (FR) | 2004-05-27 | — | — | WO | claimed |