Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6677939 | 0.90 | MAPT (0.49) | ALDH1A1KDM4ESMN1; SMN2HPGDNPC1 | |
| SCHEMBL6682014 | 0.86 | ALDH1A1 (0.59) | ALDH1A1KDM4EADORA3SMN1; SMN2HPGD | |
| SCHEMBL6678678 | 0.85 | ADORA3 (0.60) | ALDH1A1KDM4EADORA3SMN1; SMN2HPGD | |
| SCHEMBL6683067 | 0.77 | KDM4E (0.52) | ALDH1A1KDM4EADORA3SMN1; SMN2HPGD | |
| SCHEMBL6677031 | 0.75 | LMNA (0.59) | ALDH1A1KDM4EADORA3SMN1; SMN2HPGD | |
| SCHEMBL6679105 | 0.75 | KMT2A (0.56) | ALDH1A1KDM4EADORA3SMN1; SMN2HPGD | |
| SCHEMBL6684415 | 0.74 | SMN1; SMN2 (0.54) | ALDH1A1KDM4EADORA3SMN1; SMN2NPC1 | |
| SCHEMBL6683302 | 0.74 | MAPT (0.63) | ALDH1A1KDM4EADORA3SMN1; SMN2HPGD | |
| SCHEMBL6677470 | 0.73 | KMT2A (0.57) | ALDH1A1KDM4EADORA3SMN1; SMN2HPGD | |
| SCHEMBL6681626 | 0.73 | KMT2A (0.50) | ALDH1A1KDM4EADORA3SMN1; SMN2HPGD |
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 |