Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 6/20 | 0.37 |
| ▸ | CTSS | P25774 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL8034606 | 1.00 | MEN1 (0.38) | MEN1KMT2AMAPK1GAAMAPT | |
| SCHEMBL9160407 | 0.95 | MEN1 (0.40) | MEN1KMT2AMAPK1GAAMAPT | |
| SCHEMBL9160404 | 0.95 | MEN1 (0.40) | MEN1KMT2AMAPK1GAAMAPT | |
| SCHEMBL11069053 | 0.94 | MAPT (0.40) | MEN1KMT2AMAPK1GAAMAPT | |
| SCHEMBL30001 | 0.94 | MAPT (0.40) | MEN1KMT2AMAPK1GAAMAPT | |
| SCHEMBL11070687 | 0.94 | MAPT (0.40) | MEN1KMT2AMAPK1GAAMAPT | |
| SCHEMBL11070673 | 0.94 | MAPT (0.40) | MEN1KMT2AMAPK1GAAMAPT | |
| SCHEMBL11071734 | 0.91 | CYP2C9 (0.43) | MEN1KMT2AMAPK1MAPTCYP2C9 | |
| SCHEMBL11071736 | 0.91 | CYP2C9 (0.43) | MEN1KMT2AMAPK1MAPTCYP2C9 | |
| SCHEMBL11074130 | 0.84 | CTSK (0.37) | MAPK1MAPTCTSKCTSSALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0497176-B1 | Four rings compounds and liquid crystal mixtures containing them | MERCK PATENT GMBH (DE) | 2000-04-05 | — | — | EP | disclosed |
| EP-0464648-B1 | 4-Cyano-3-fluorophenyl esters | HOFFMANN LA ROCHE (CH) | 1995-12-06 | — | — | EP | disclosed |
| US-5454974-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1995-10-03 | — | — | US | disclosed |
| US-5413734-A | 4-cyano-3-fluorophenyl esters | HOFFMANN-LA ROCHE INC. (US) | 1995-05-09 | — | — | US | disclosed |
| US-5302317-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1994-04-12 | — | — | US | disclosed |
| US-5230826-A | HALOBENZENE LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | 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 |
| US-5013477-A | Alkenylbicyclohexane liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1991-05-07 | — | — | US | disclosed |
| EP-0315014-A2 | Halogenated benzene derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |
| US-4462923-A | Disubstituted pyrimidines | HOFFMANN-LA ROCHE INC. (US) | 1984-07-31 | — | — | US | disclosed |