Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSPO | P30536 | 1/20 | 0.37 |
| ▸ | AHCY | P23526 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.35 |
| ▸ | SDCBP | O00560 | 1/20 | 0.34 |
| ▸ | SDC2 | P34741 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL5204960 | 0.94 | HTT (0.37) | ALDH1A1HTTNPSR1LMNAPOLB | |
| SCHEMBL5204994 | 0.94 | ALDH1A1 (0.40) | ALDH1A1HTTNPSR1LMNAPOLB | |
| SCHEMBL5206214 | 0.93 | ALDH1A1 (0.40) | ALDH1A1HTTNPSR1LMNAPOLB | |
| SCHEMBL5204311 | 0.92 | ALDH1A1 (0.42) | ALDH1A1HTTNPSR1LMNAPOLB | |
| SCHEMBL5202269 | 0.92 | ALDH1A1 (0.39) | ALDH1A1HTTNPSR1LMNAPOLB | |
| SCHEMBL5205381 | 0.89 | HDAC1 (0.41) | TSPOPPARGPPARDPPARAHDAC1 | |
| SCHEMBL5202464 | 0.88 | ALDH1A1 (0.41) | ALDH1A1HTTNPSR1LMNAPOLB | |
| SCHEMBL5204997 | 0.87 | ALDH1A1 (0.43) | ALDH1A1HTTNPSR1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL5208410 | 0.87 | SSTR5 (0.42) | ALDH1A1HTTNPSR1LMNAPOLB | |
| Hydrochloric Acid SCHEMBL5206604 | 0.87 | AHCY (0.38) | ALDH1A1HTTNPSR1LMNAPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7160887-B1 | Aromatic amine derivatives, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-01-09 | — | — | US | disclosed |
| EP-1123918-B1 | AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | TAKEDA PHARMACEUTICAL (JP) | 2005-03-09 | — | — | EP | disclosed |
| EP-1123918-A1 | AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-16 | — | — | EP | disclosed |