Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.30 |
| ▸ | ACE | P12821 | 1/20 | 0.30 |
| ▸ | CPA1 | P15085 | 1/20 | 0.30 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.30 |
| ▸ | MMP1 | P03956 | 1/20 | 0.30 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16317747 | 0.77 | — | — | |
| SCHEMBL20490020 | 0.77 | TSHR (0.35) | TSHRMMP1MMP2MMP3 | |
| SCHEMBL1785218 | 0.77 | — | — | |
| SCHEMBL940382 | 0.77 | TP53 (0.40) | ALDH1A1TDP1TSHR | |
| SCHEMBL14092746 | 0.77 | — | — | |
| SCHEMBL17691122 | 0.76 | ACE2 (0.39) | ACE2 | |
| SCHEMBL5269948 | 0.75 | TSHR (0.39) | TSHR | |
| SCHEMBL7965203 | 0.74 | TDP1 (0.33) | ALDH1A1TDP1TSHR | |
| SCHEMBL16245141 | 0.74 | — | — | |
| SCHEMBL28898676 | 0.74 | TSHR (0.33) | ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2390001-A1 | Organoaluminium compounds and their use as catalysts in the selective cyclisation of citronellal to isopulegol | Takasago International Corporation (JP) | 2011-11-30 | — | — | EP | disclosed |
| EP-1942111-A1 | Diarylphenoxy aluminum compounds | BASF SE (DE) | 2008-07-09 | — | — | EP | disclosed |
| WO-2008025852-A1 | RECOVERY OF BIS(DIARYLPHENOL) LIGANDS DURING THE PRODUCTION OF ISOPULEGOL | BASF SE (DE) | 2008-03-06 | — | — | WO | disclosed |