Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 2/20 | 0.57 |
| ▸ | FABP3 | P05413 | 7/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.40 |
| ▸ | 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 SCHEMBL2762401 | 1.00 | BBOX1 (0.57) | BBOX1FABP3CA1CES2CES1 | |
| Octanoic Acid SCHEMBL2761784 | 1.00 | BBOX1 (0.57) | BBOX1FABP3CA1CES2CES1 | |
| Heptanoate SCHEMBL2762665 | 1.00 | BBOX1 (0.57) | BBOX1FABP3CA1CES2CES1 | |
| Hexanoate SCHEMBL2761940 | 0.98 | BBOX1 (0.59) | BBOX1FABP3CA1CES2CES1 | |
| Valeric Acid SCHEMBL144555 | 0.94 | BBOX1 (0.61) | BBOX1FABP3CA1CES2CES1 | |
| Dodecanoate SCHEMBL2761983 | 0.88 | BBOX1 (0.57) | BBOX1FABP3CA1CES2CES1 | |
| Octanoic Acid SCHEMBL2762321 | 0.88 | BBOX1 (0.57) | BBOX1FABP3CA1CES2CES1 | |
| Decanoic Acid SCHEMBL2761705 | 0.88 | BBOX1 (0.57) | BBOX1FABP3CA1CES2CES1 | |
| Heptanoate SCHEMBL2762022 | 0.88 | BBOX1 (0.57) | BBOX1FABP3CA1CES2CES1 | |
| Heptanoate SCHEMBL2762139 | 0.88 | FABP3 (0.49) | FABP3CA1TP53CYP2D6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010136105-A2 | AMMONIUMCARBOXYLATES | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | WO | claimed |
| WO-2010136105-A2 | AMMONIUMCARBOXYLATES | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | WO | disclosed |