Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9115506 | 1.00 | LTA4H (0.45) | LTA4HPARP15PARP10PARP2ACACB | |
| SCHEMBL9114548 | 0.95 | LTA4H (0.48) | LTA4HPARP15PARP10PARP2ACACB | |
| SCHEMBL9114551 | 0.95 | LTA4H (0.48) | LTA4HPARP15PARP10PARP2ACACB | |
| SCHEMBL9114957 | 0.90 | LTA4H (0.44) | LTA4HPARP15PARP10PARP2ACACB | |
| SCHEMBL9114951 | 0.90 | LTA4H (0.44) | LTA4HPARP15PARP10PARP2ACACB | |
| SCHEMBL9116455 | 0.87 | PTGES (0.43) | LTA4HPARP15PARP10PARP2ACACB | |
| SCHEMBL9116461 | 0.87 | PTGES (0.43) | LTA4HPARP15PARP10PARP2ACACB | |
| SCHEMBL9115780 | 0.86 | PTGES (0.42) | LTA4HPARP15PARP10PARP2ACACB | |
| SCHEMBL9115773 | 0.86 | PTGES (0.42) | LTA4HPARP15PARP10PARP2ACACB | |
| SCHEMBL9184647 | 0.85 | KDM1A (0.42) | PARP15PARP10PARP2MAOBTDP1 |
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 |