Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 8/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8001953 | 0.88 | PTGS2 (0.56) | PTGS2THRATHRBADRB2HTR1A | |
| SCHEMBL3842939 | 0.87 | PTGS2 (0.57) | PTGS2THRATHRBPPARGPPARA | |
| SCHEMBL7996167 | 0.86 | PTGS2 (0.56) | PTGS2THRATHRBPPARGPPARA | |
| SCHEMBL7996235 | 0.86 | PTGS2 (0.56) | PTGS2THRATHRBPPARGPPARA | |
| SCHEMBL7984445 | 0.86 | PTGS2 (0.56) | PTGS2THRATHRBPPARGPPARA | |
| SCHEMBL7998380 | 0.85 | PTGS2 (0.43) | PTGS2THRATHRBPPARGPPARA | |
| SCHEMBL6534901 | 0.83 | PTGS2 (0.56) | PTGS2THRATHRBPPARGPPARA | |
| SCHEMBL11147730 | 0.78 | THRA (0.68) | PTGS2THRATHRBPPARGPPARA | |
| SCHEMBL31505146 | 0.78 | THRA (0.68) | PTGS2THRATHRBPPARGPPARA | |
| SCHEMBL30399402 | 0.78 | THRA (0.58) | PTGS2THRATHRBPPARGPPARA |
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-6284918-B1 | ENZYME INHIBITORS | VANDERBILT UNIVERSITY | 2001-09-04 | — | — | US | disclosed |