Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 2/20 | 0.59 |
| ▸ | FABP3 | P05413 | 7/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Dodecanoate SCHEMBL2762624 | 1.00 | BBOX1 (0.59) | BBOX1FABP3CA1CES2CES1 | |
| Heptanoate SCHEMBL2762419 | 1.00 | BBOX1 (0.59) | BBOX1FABP3CA1CES2CES1 | |
| Decanoic Acid SCHEMBL2762392 | 1.00 | BBOX1 (0.59) | BBOX1FABP3CA1CES2CES1 | |
| Octanoic Acid SCHEMBL2761935 | 1.00 | BBOX1 (0.59) | BBOX1FABP3CA1CES2CES1 | |
| Hexanoate SCHEMBL2762333 | 0.98 | BBOX1 (0.61) | BBOX1FABP3CA1CES2CES1 | |
| Valeric Acid SCHEMBL144677 | 0.94 | BBOX1 (0.62) | BBOX1FABP3CA1CES2CES1 | |
| Heptanoate SCHEMBL2761943 | 0.88 | BBOX1 (0.59) | BBOX1FABP3CA1CES2CES1 | |
| Dodecanoate SCHEMBL2762115 | 0.88 | BBOX1 (0.59) | BBOX1FABP3CA1CES2CES1 | |
| Dodecanoate SCHEMBL2762446 | 0.88 | BBOX1 (0.59) | BBOX1FABP3CA1CES2CES1 | |
| Octanoic Acid SCHEMBL2762335 | 0.88 | BBOX1 (0.59) | BBOX1FABP3CA1CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010136105-A2 | AMMONIUMCARBOXYLATES | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | WO | claimed |