Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 2/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7501562 | 0.94 | CASR (0.46) | ALDH1A1ALDH2PKMALDH3A1XIAP | |
| SCHEMBL7495825 | 0.87 | ALDH1A1 (0.52) | ALDH1A1 | |
| SCHEMBL7500262 | 0.87 | ALDH1A1 (0.52) | ALDH1A1 | |
| SCHEMBL7507580 | 0.87 | ALDH1A1 (0.45) | ALDH1A1ALDH2PKMALDH3A1XIAP | |
| SCHEMBL7500658 | 0.80 | CASR (0.48) | ALDH1A1ALDH2ALDH3A1XIAPCASR | |
| SCHEMBL7502331 | 0.79 | ALDH1A1 (0.42) | ALDH1A1GSK3BL3MBTL1LMNA | |
| SCHEMBL9117259 | 0.78 | ALDH1A1 (0.47) | ALDH1A1XIAP | |
| SCHEMBL9117256 | 0.78 | ALDH1A1 (0.47) | ALDH1A1XIAP | |
| SCHEMBL7498239 | 0.78 | ALDH1A1 (0.52) | ALDH1A1 | |
| SCHEMBL7501263 | 0.78 | ALDH1A1 (0.52) | ALDH1A1 |
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-0757681-B1 | CONDENSED HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS GnRH ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2002-09-18 | — | — | EP | disclosed |
| WO-1995029900-A1 | CONDENSED HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS GnRH ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-11-09 | — | — | WO | disclosed |