Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL7752374 | 0.98 | CYP2C9 (0.53) | CYP2C9MAPK1LMNAMAPTMEN1 | |
| SCHEMBL7928002 | 0.94 | SPHK1 (0.50) | CYP2C9MAPK1LMNAMAPTMEN1 | |
| SCHEMBL7747030 | 0.94 | CYP2C9 (0.49) | CYP2C9MAPK1LMNAMAPTMEN1 | |
| SCHEMBL7747038 | 0.94 | CYP2C9 (0.49) | CYP2C9MAPK1LMNAMAPTMEN1 | |
| SCHEMBL10348500 | 0.94 | SPHK1 (0.50) | CYP2C9MAPK1LMNAMAPTMEN1 | |
| SCHEMBL7751758 | 0.94 | CYP2C9 (0.49) | CYP2C9MAPK1LMNAMAPTMEN1 | |
| SCHEMBL7747035 | 0.94 | CYP2C9 (0.49) | CYP2C9MAPK1LMNAMAPTMEN1 | |
| SCHEMBL7752413 | 0.93 | CYP2C9 (0.51) | CYP2C9MAPK1LMNAMAPTMEN1 | |
| SCHEMBL11117357 | 0.93 | CYP2C9 (0.51) | CYP2C9MAPK1LMNAMAPTMEN1 | |
| SCHEMBL7751373 | 0.92 | SPHK1 (0.51) | CYP2C9MAPK1LMNAMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4970022-A | ISOTHIOCYANATES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-11-13 | — | — | US | disclosed |
| EP-0250505-B1 | LIQUID CRYSTAL ISOTHIOCYANATE DERIVATIVES | MERCK PATENT GmbH (DE) | 1990-07-04 | — | — | EP | disclosed |
| EP-0250505-A1 | LIQUID CRYSTAL ISOTHIOCYANATE DERIVATIVES. | MERCK PATENT GMBH (DE) | 1988-01-07 | — | — | EP | disclosed |
| WO-1987003870-A1 | LIQUID CRYSTAL ISOTHIOCYANATE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1987-07-02 | — | — | WO | disclosed |