Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STK10 | O94804 | 2/20 | 0.40 |
| ▸ | SLK | Q9H2G2 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL16146952 | 0.80 | PTGS2 (0.42) | PTGS2PTGS1FFAR4DRD1 | |
| SCHEMBL16148118 | 0.79 | PTGS2 (0.41) | PTGS2PTGS1FFAR4RAB9AMEN1 | |
| SCHEMBL16147100 | 0.78 | ABL1 (0.47) | FFAR4RAB9ASMN1; SMN2MEN1NPC1 | |
| SCHEMBL16146940 | 0.74 | AKR1C3 (0.42) | ALDH1A1RAB9ASMN1; SMN2MAPTHPGD | |
| SCHEMBL16147512 | 0.73 | GSTP1 (0.49) | TRPA1 | |
| SCHEMBL5723222 | 0.71 | ALDH1A1 (0.48) | PTGS2ALDH1A1PTGS1FFAR4FFAR1 | |
| SCHEMBL6247727 | 0.69 | PTGS2 (0.57) | PTGS2ALDH1A1PTGS1FFAR4FFAR1 | |
| SCHEMBL6721530 | 0.69 | PTGS1 (0.59) | SLKPTGS2ALDH1A1PTGS1 | |
| SCHEMBL13211667 | 0.68 | PTGS2 (0.46) | PTGS2ALDH1A1PTGS1FFAR4FFAR1 | |
| SCHEMBL15145670 | 0.68 | KCNN4 (0.42) | NFKB1 |
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-2014165861-A1 | METAL-CATALYZED COUPLING OF ARYL AND VINYL HALIDES WITH ALPHA, ALPHA-DIFLUOROCARBONYL COMPOUNDS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-10-09 | — | — | WO | disclosed |