Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | RORC | P51449 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.31 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.31 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SCD | O00767 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1708133 | 0.91 | GFER (0.36) | ALDH1A1TP53RORCGAAMAPT | |
| SCHEMBL1708155 | 0.89 | NTRK1 (0.37) | ALDH1A1TP53GAAMAPK1MAPT | |
| SCHEMBL1708162 | 0.88 | MAPT (0.34) | ALDH1A1TP53GAAMAPK1MAPT | |
| SCHEMBL1708072 | 0.87 | LMNA (0.37) | ALDH1A1GAAMAPK1MAPTLMNA | |
| SCHEMBL1708145 | 0.87 | TSHR (0.33) | ALDH1A1TP53GAAMAPK1MAPT | |
| SCHEMBL1708631 | 0.87 | NPC1 (0.35) | ALDH1A1TP53GAAMAPK1MAPT | |
| SCHEMBL1708111 | 0.87 | NPC1 (0.33) | ALDH1A1TP53GAAMAPK1MAPT | |
| SCHEMBL1708081 | 0.85 | SCD (0.36) | ALDH1A1GAAMAPTNPC1RAB9A | |
| SCHEMBL1708010 | 0.85 | NPC1 (0.36) | ALDH1A1TP53GAAMAPTLMNA | |
| SCHEMBL1708634 | 0.84 | TP53 (0.35) | ALDH1A1TP53GAAMAPK1MAPT |
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-2440541-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010143733-A1 | NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-16 | — | — | WO | disclosed |