Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | LSS | P48449 | 2/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.35 |
| ▸ | ACR | P10323 | 2/20 | 0.35 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.35 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.35 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.35 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.35 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.35 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10429638 | 0.94 | ALDH1A1 (0.51) | ALDH1A1L3MBTL1MAPTKMT2AMEN1 | |
| SCHEMBL9164842 | 0.86 | FFAR1 (0.35) | ALDH1A1L3MBTL1KMT2AMEN1PRSS1 | |
| SCHEMBL9253512 | 0.86 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1MAPTKMT2AMEN1 | |
| SCHEMBL10483910 | 0.85 | MAPT (0.52) | ALDH1A1MAPTKMT2APRSS1ACR | |
| SCHEMBL10484072 | 0.85 | MAPT (0.46) | ALDH1A1L3MBTL1MAPTKMT2APRSS1 | |
| SCHEMBL9482558 | 0.84 | ALDH1A1 (0.36) | ALDH1A1L3MBTL1KMT2APRSS1ACR | |
| SCHEMBL12604089 | 0.84 | KMT2A (0.41) | ALDH1A1MAPTKMT2AMEN1LSS | |
| SCHEMBL7739126 | 0.84 | CYP3A4 (0.41) | ALDH1A1L3MBTL1MAPTKMT2AMEN1 | |
| SCHEMBL9166226 | 0.84 | KDM1A (0.37) | ALDH1A1 | |
| SCHEMBL10484028 | 0.83 | LMNA (0.54) | ALDH1A1MAPTKMT2APRSS1ACR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0464648-B1 | 4-Cyano-3-fluorophenyl esters | HOFFMANN LA ROCHE (CH) | 1995-12-06 | — | — | EP | disclosed |
| US-5413734-A | 4-cyano-3-fluorophenyl esters | HOFFMANN-LA ROCHE INC. (US) | 1995-05-09 | — | — | US | disclosed |
| US-5185098-A | Liquid crystalline mixtures containing 3,4-difluorophenyl-substituted bicyclohexyls | HOFFMANN-LA ROCHE INC. (US) | 1993-02-09 | — | — | US | disclosed |
| EP-0464648-A1 | 4-Cyano-3-fluorophenyl esters | F. HOFFMANN-LA ROCHE AG (CH) | 1992-01-08 | — | — | EP | disclosed |