Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NFKBIA | P25963 | 2/20 | 0.47 |
| ▸ | RELA | Q04206 | 2/20 | 0.47 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.47 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.45 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20306107 | 0.86 | GAA (0.47) | ALDH1A1MAPTMAPK1GAANFKBIA | |
| SCHEMBL12339098 | 0.83 | GAA (0.54) | ALDH1A1MAPTMAPK1GAANFKBIA | |
| SCHEMBL15745422 | 0.82 | GAA (0.50) | ALDH1A1MAPTMAPK1GAANFKBIA | |
| SCHEMBL3177033 | 0.80 | PARP14 (0.50) | ALDH1A1MAPTMAPK1GAANFKBIA | |
| SCHEMBL18455304 | 0.80 | NFKBIA (0.49) | ALDH1A1MAPTMAPK1GAANFKBIA | |
| SCHEMBL2004631 | 0.80 | ALDH1A1 (0.53) | ALDH1A1MAPTMAPK1GAANFKBIA | |
| SCHEMBL20085643 | 0.80 | ATM (0.47) | ALDH1A1MAPTSLC40A1POLBLMNA | |
| SCHEMBL13211042 | 0.79 | NFKBIA (0.56) | ALDH1A1MAPTMAPK1GAANFKBIA | |
| SCHEMBL11092013 | 0.79 | MAPT (0.54) | ALDH1A1MAPTMAPK1GAANFKBIA | |
| Hydrochloric Acid SCHEMBL27947221 | 0.79 | PARP14 (0.49) | ALDH1A1MAPTMAPK1GAANFKBIA |
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 |
|---|---|---|---|---|---|---|---|
| CN-106187915-A | There is inhibitor of ALK Yu EGFR double activity and its preparation method and application | 上海翰森生物医药科技有限公司 | 2016-12-07 | — | — | CN | disclosed |