Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 5/20 | 0.57 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.40 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.35 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SLC5A7 | Q9GZV3 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL2761970 | 0.88 | BBOX1 (0.54) | BBOX1DNM1PSMD14PLA2G1BHSP90AA1 | |
| Propionic Acid SCHEMBL11436115 | 0.83 | BBOX1 (0.56) | BBOX1KMT2AMEN1FFAR3HDAC3 | |
| SCHEMBL1598462 | 0.83 | — | — | |
| Choline SCHEMBL7043034 | 0.81 | MEN1 (0.57) | BBOX1KMT2AMEN1LMNACYP3A4 | |
| Hexanoate SCHEMBL2762195 | 0.81 | BBOX1 (0.67) | BBOX1DNM1 | |
| Hydrochloric Acid SCHEMBL17710451 | 0.80 | — | — | |
| Water SCHEMBL27488837 | 0.80 | — | — | |
| Water SCHEMBL1333602 | 0.80 | — | — | |
| Fluoride Ion SCHEMBL20213752 | 0.80 | — | — | |
| Bromide SCHEMBL3718607 | 0.80 | — | — |
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 3 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-2010136104-A2 | ANTI-DANDRUFF AGENTS | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | WO | disclosed |
| WO-2010136105-A2 | AMMONIUMCARBOXYLATES | MERCK PATENT GMBH (DE) | 2010-12-02 | — | — | WO | disclosed |