Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 8/20 | 0.89 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.89 |
| ▸ | MEN1 | O00255 | 7/20 | 0.89 |
| ▸ | HPGD | P15428 | 2/20 | 0.89 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.89 |
| ▸ | MAPT | P10636 | 6/20 | 0.81 |
| ▸ | TP53 | P04637 | 2/20 | 0.81 |
| ▸ | USP2 | O75604 | 1/20 | 0.81 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.81 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.80 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.80 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | AURKA | O14965 | 7/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.66 |
| ▸ | GAA | P10253 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL6680850 | 0.94 | ALDH1A1 (1.00) | KMT2AALDH1A1MEN1HPGDNPSR1 | |
| SCHEMBL6680344 | 0.93 | KMT2A (0.81) | KMT2AALDH1A1MEN1HPGDNPSR1 | |
| SCHEMBL5330487 | 0.90 | KMT2A (0.77) | KMT2AALDH1A1MEN1HPGDNPSR1 | |
| SCHEMBL3654030 | 0.90 | KMT2A (1.00) | KMT2AALDH1A1MEN1HPGDNPSR1 | |
| SCHEMBL17681386 | 0.88 | KMT2A (0.74) | KMT2AALDH1A1MEN1HPGDNPSR1 | |
| SCHEMBL6689240 | 0.88 | ALDH1A1 (1.00) | KMT2AALDH1A1MEN1HPGDNPSR1 | |
| SCHEMBL6680632 | 0.86 | AURKA (0.76) | KMT2AALDH1A1MEN1HPGDNPSR1 | |
| SCHEMBL19204773 | 0.86 | KMT2A (0.73) | KMT2AALDH1A1MEN1HPGDNPSR1 | |
| SCHEMBL6670526 | 0.85 | ALDH1A1 (0.70) | KMT2AALDH1A1MEN1HPGDNPSR1 | |
| SCHEMBL6683324 | 0.85 | ALDH1A1 (0.72) | KMT2AALDH1A1MEN1HPGDNPSR1 |
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-2004043951-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS | CAREX S.A. (FR) | 2004-05-27 | — | — | WO | claimed |
| WO-2004043951-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS | CAREX S.A. (FR) | 2004-05-27 | — | — | WO | disclosed |