Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.45 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.41 |
| ▸ | MT-CO1 | P00395 | 1/20 | 0.41 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Mandelic Acid SCHEMBL7700968 | 0.86 | LMNA (0.51) | — | |
| Mandelic Acid SCHEMBL738480 | 0.86 | LMNA (0.51) | — | |
| Mandelic Acid SCHEMBL738482 | 0.86 | LMNA (0.51) | — | |
| Mandelic Acid SCHEMBL7703006 | 0.86 | LMNA (0.51) | — | |
| Mandelic Acid SCHEMBL738154 | 0.86 | LMNA (0.51) | — | |
| SCHEMBL27495307 | 0.76 | PTGS2 (0.67) | PTGS2FAAHPTGS1 | |
| Acetic Acid SCHEMBL11808600 | 0.74 | SLC6A1 (0.52) | — | |
| SCHEMBL23581099 | 0.74 | PTGS2 (0.75) | PTGS2PTGS1 | |
| SCHEMBL10411845 | 0.74 | PTGS2 (0.75) | PTGS2PTGS1 | |
| Iodide SCHEMBL3868944 | 0.74 | PTGS2 (0.75) | PTGS2PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7960402-B2 | Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-06-14 | — | — | US | disclosed |