Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY6 | Q15077 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.35 |
| ▸ | ESR1 | P03372 | 6/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10347925 | 1.00 | P2RY6 (0.39) | P2RY6MEN1MAPK1KMT2AESR2 | |
| SCHEMBL10611140 | 0.95 | P2RY6 (0.42) | P2RY6MEN1MAPK1KMT2AESR2 | |
| SCHEMBL10611139 | 0.95 | P2RY6 (0.42) | P2RY6MEN1MAPK1KMT2AESR2 | |
| SCHEMBL10419636 | 0.91 | P2RY6 (0.39) | P2RY6MEN1MAPK1KMT2AESR2 | |
| SCHEMBL10456147 | 0.91 | P2RY6 (0.39) | P2RY6MEN1MAPK1KMT2AESR2 | |
| SCHEMBL10532002 | 0.89 | MEN1 (0.49) | P2RY6MEN1MAPK1KMT2AESR2 | |
| SCHEMBL10347974 | 0.89 | MEN1 (0.49) | P2RY6MEN1MAPK1KMT2AESR2 | |
| SCHEMBL10477196 | 0.89 | P2RY6 (0.56) | P2RY6CYP3A4CYP2D6GRIN1GRIN2A | |
| SCHEMBL10348559 | 0.89 | MEN1 (0.49) | P2RY6MEN1MAPK1KMT2AESR2 | |
| SCHEMBL10531997 | 0.89 | MEN1 (0.49) | P2RY6MEN1MAPK1KMT2AESR2 |
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 |