Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 3/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | FABP3 | P05413 | 7/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Decanoic Acid SCHEMBL2762145 | 0.98 | BBOX1 (0.57) | BBOX1CA1FABP3CES2CES1 | |
| Octanoic Acid SCHEMBL2761784 | 0.98 | BBOX1 (0.57) | BBOX1CA1FABP3CES2CES1 | |
| Heptanoate SCHEMBL2762665 | 0.98 | BBOX1 (0.57) | BBOX1CA1FABP3CES2CES1 | |
| Dodecanoate SCHEMBL2762401 | 0.98 | BBOX1 (0.57) | BBOX1CA1FABP3CES2CES1 | |
| Valeric Acid SCHEMBL144555 | 0.95 | BBOX1 (0.61) | BBOX1CA1FABP3NFKB1CES2 | |
| Butyric Acid SCHEMBL143249 | 0.89 | BBOX1 (0.55) | BBOX1CA1TSHR | |
| Hexanoate SCHEMBL2762435 | 0.88 | BBOX1 (0.59) | BBOX1CA1FABP3NFKB1 | |
| Dodecanoate SCHEMBL2761983 | 0.86 | BBOX1 (0.57) | BBOX1CA1FABP3CES2CES1 | |
| Heptanoate SCHEMBL2762022 | 0.86 | BBOX1 (0.57) | BBOX1CA1FABP3CES2CES1 | |
| Octanoic Acid SCHEMBL2762321 | 0.86 | BBOX1 (0.57) | BBOX1CA1FABP3CES2CES1 |
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 |