Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HLCS | P50747 | 2/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.37 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | FASN | P49327 | 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 | |
|---|---|---|---|---|
| SCHEMBL27172660 | 0.94 | CYP1A2 (0.47) | CYP1A2ALDH1A1POLB | |
| SCHEMBL5532586 | 0.85 | CYP1A2 (0.37) | CYP1A2 | |
| SCHEMBL11034623 | 0.82 | CYP1A2 (0.50) | CYP1A2ALDH1A1EPHX1POLB | |
| SCHEMBL11034625 | 0.82 | CYP1A2 (0.50) | CYP1A2ALDH1A1EPHX1POLB | |
| SCHEMBL8710704 | 0.80 | CYP1A2 (0.71) | CYP1A2ALDH1A1EPHX1 | |
| SCHEMBL28237732 | 0.80 | CYP1A2 (0.71) | CYP1A2ALDH1A1EPHX1 | |
| SCHEMBL28238797 | 0.80 | CYP1A2 (0.71) | CYP1A2ALDH1A1EPHX1 | |
| SCHEMBL29025273 | 0.79 | CYP1A2 (0.46) | CYP1A2ALDH1A1SPHK1SPHK2EPHX1 | |
| SCHEMBL6662416 | 0.79 | CYP1A2 (0.69) | CYP1A2ALDH1A1EPHX1 | |
| SCHEMBL664978 | 0.79 | CYP1A2 (0.69) | CYP1A2ALDH1A1EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000154184-A | SIX-MEMBERED CARBONATE COMPOUND AND ITS PRODUCTION | JAPAN CHEMICAL INNOVATION INSTITUTE | 2000-06-06 | — | — | JP | disclosed |