Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 12/20 | 0.48 |
| ▸ | CES1 | P23141 | 10/20 | 0.48 |
| ▸ | CES2 | O00748 | 8/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | PLA2G6 | O60733 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL465018 | 0.92 | FAAH (0.43) | FAAHCES1CES2MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL2553186 | 0.86 | FAAH (0.47) | FAAHCES1CES2MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL2555192 | 0.86 | FAAH (0.47) | FAAHCES1CES2MEN1CYP1A2 | |
| Bicarbonate SCHEMBL7998496 | 0.85 | CES2 (0.50) | CES1CES2MEN1KMT2AHSD17B10 | |
| Acetic Acid SCHEMBL2695510 | 0.83 | CES1 (0.48) | CES1CES2MEN1KMT2AHSD17B10 | |
| Acetic Acid SCHEMBL15529765 | 0.83 | CES1 (0.48) | CES1CES2MEN1KMT2AHSD17B10 | |
| Acetic Acid SCHEMBL15529776 | 0.83 | CES1 (0.48) | CES1CES2MEN1KMT2AHSD17B10 | |
| Acetic Acid SCHEMBL15529874 | 0.83 | CES1 (0.48) | CES1CES2MEN1KMT2AHSD17B10 | |
| Acetic Acid SCHEMBL674336 | 0.83 | CES1 (0.48) | CES1CES2MEN1KMT2AHSD17B10 | |
| Acetic Acid SCHEMBL15529625 | 0.83 | CES1 (0.48) | CES1CES2MEN1KMT2AHSD17B10 |
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-2011124187-A1 | SELF-ASSEMBLED MONOLAYER AND METHOD OF ITS PREPARATION | USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) | 2011-10-13 | — | — | WO | disclosed |