Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | ALPG | P10696 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28114646 | 0.76 | ALDH1A1 (0.44) | ALDH1A1LMNATDP1HSD17B10RAB9A | |
| SCHEMBL5375591 | 0.71 | ALDH1A1 (0.42) | ALDH1A1LMNATDP1RAB9ANPC1 | |
| Ether SCHEMBL11552277 | 0.71 | ALDH1A1 (0.55) | ALDH1A1LMNATDP1HSD17B10RAB9A | |
| SCHEMBL13281083 | 0.71 | HSD17B10 (0.48) | ALDH1A1LMNATDP1HSD17B10KDM4E | |
| SCHEMBL23536448 | 0.70 | HTT (0.49) | ALDH1A1LMNAKDM4EKMT2AMAPT | |
| Hydrochloric Acid SCHEMBL6798330 | 0.69 | SLC6A3 (0.51) | ALDH1A1LMNATSHR | |
| SCHEMBL12086376 | 0.68 | ALDH1A1 (0.55) | ALDH1A1LMNATDP1HSD17B10KDM4E | |
| Nitrophenolate SCHEMBL5888852 | 0.68 | GPR35 (0.50) | ALDH1A1LMNATDP1HSD17B10RAB9A | |
| 2-Nitroaniline SCHEMBL4541848 | 0.68 | ALDH1A1 (0.53) | ALDH1A1LMNATDP1HSD17B10RAB9A | |
| SCHEMBL1742226 | 0.67 | HSD17B10 (0.44) | ALDH1A1TDP1HSD17B10RAB9ARECQL |
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-106336398-A | 2-Saturated cyclosubstituted aniline protein kinase inhibitor | 杭州雷索药业有限公司 | 2017-01-18 | — | — | CN | disclosed |