Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.42 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.42 |
| ▸ | LSS | P48449 | 3/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.40 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9115165 | 1.00 | PTGES (0.44) | PTGESALOX5PPARGPSEN1LTA4H | |
| SCHEMBL9115773 | 0.96 | PTGES (0.42) | PTGESALOX5PPARGPSEN1LTA4H | |
| SCHEMBL9115780 | 0.96 | PTGES (0.42) | PTGESALOX5PPARGPSEN1LTA4H | |
| SCHEMBL9116390 | 0.96 | LTA4H (0.45) | PTGESALOX5PPARGPSEN1LTA4H | |
| SCHEMBL9116387 | 0.96 | LTA4H (0.45) | PTGESALOX5PPARGPSEN1LTA4H | |
| SCHEMBL9116455 | 0.92 | PTGES (0.43) | PTGESALOX5PPARGPSEN1LTA4H | |
| SCHEMBL9116461 | 0.92 | PTGES (0.43) | PTGESALOX5PPARGPSEN1LTA4H | |
| SCHEMBL9116652 | 0.90 | LTA4H (0.47) | PTGESALOX5PPARGPSEN1LTA4H | |
| SCHEMBL9116659 | 0.90 | LTA4H (0.47) | PTGESALOX5PPARGPSEN1LTA4H | |
| SCHEMBL9114951 | 0.86 | LTA4H (0.44) | PTGESALOX5PPARGPSEN1LTA4H |
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-1995011214-A1 | 4-TRIFLUOROMETHYLBENZENES AND THEIR USE IN LIQUID-CRYSTAL MIXTURES | MERCK PATENT GMBH (DE) | 1995-04-27 | — | — | WO | disclosed |