Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 4/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2489975 | 0.80 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNAALOX15HPGD | |
| SCHEMBL2489846 | 0.79 | ABCB1 (0.47) | ALDH1A1MAPTLMNAALOX15HPGD | |
| SCHEMBL12315714 | 0.79 | ALDH1A1 (0.48) | ALDH1A1MAPTLMNAALOX15HPGD | |
| SCHEMBL2487710 | 0.78 | LMNA (0.45) | ALDH1A1MAPTLMNAALOX15HPGD | |
| SCHEMBL2488683 | 0.78 | FAAH (0.52) | ALDH1A1MAPTLMNAALOX15HPGD | |
| SCHEMBL2489970 | 0.78 | KMT2A (0.48) | ALDH1A1MAPTLMNAALOX15HPGD | |
| SCHEMBL2485333 | 0.77 | HPGD (0.52) | ALDH1A1MAPTLMNAALOX15HPGD | |
| SCHEMBL2488514 | 0.77 | ADORA1 (0.46) | ALDH1A1MAPTLMNAALOX15HPGD | |
| SCHEMBL2488863 | 0.77 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNAALOX15HPGD | |
| SCHEMBL2802729 | 0.76 | ALDH1A1 (0.38) | ALDH1A1MAPTLMNAALOX15HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2379551-A1 | SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS | ArQule, Inc. (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010078427-A1 | SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS | ARQULE, INC. (US) | 2010-07-08 | — | — | WO | disclosed |