Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL12459735 | 1.00 | CYP1A2 (0.46) | CYP1A2CA1CA9PPARGMAPT | |
| SCHEMBL863604 | 0.89 | — | — | |
| SCHEMBL18227564 | 0.89 | — | — | |
| SCHEMBL864534 | 0.88 | CYP1A2 (0.51) | CYP1A2CA1CA9PPARG | |
| SCHEMBL864228 | 0.86 | CYP1A2 (0.54) | CYP1A2CA1CA9PPARG | |
| SCHEMBL863827 | 0.85 | — | — | |
| SCHEMBL5156795 | 0.85 | — | — | |
| SCHEMBL5155772 | 0.85 | — | — | |
| SCHEMBL863504 | 0.85 | CYP1A2 (0.57) | CYP1A2CA1CA9PPARG | |
| SCHEMBL864301 | 0.85 | CYP1A2 (0.57) | CYP1A2CA1CA9PPARG |
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 |
|---|---|---|---|---|---|---|---|
| EP-1809270-B1 | 5,6,7-TRIHYDROXYHEPTANOIC ACID AND ANALOGS FOR THE TREATMENT OF OCULAR DISEASES AND DISEASES ASSOCIATED WITH HYPERPROLIFERATIVE AND ANGIOGENIC RESPONSES | ALCON INC (CH) | 2010-03-24 | — | — | EP | disclosed |