Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.43 |
| ▸ | GALR3 | O60755 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6681087 | 0.79 | ALDH1A1 (0.59) | ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL6682360 | 0.78 | ALDH1A1 (0.71) | ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL408273 | 0.77 | DGAT1 (0.54) | ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL4501557 | 0.76 | ALDH1A1 (0.82) | ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL12670794 | 0.76 | TSHR (0.48) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL27834225 | 0.76 | ALDH1A1 (0.56) | ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL3545816 | 0.75 | LMNA (0.63) | ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL15072202 | 0.75 | ALDH1A1 (0.65) | ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL13606630 | 0.74 | CYP2C9 (0.51) | ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2 | |
| SCHEMBL28771391 | 0.74 | ALDH1A1 (0.78) | ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2 |
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 |