Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 9/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | SPHK2 | Q9NRA0 | 5/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7747040 | 1.00 | CYP2C9 (0.48) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7747046 | 1.00 | CYP2C9 (0.48) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7747049 | 1.00 | CYP2C9 (0.48) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7752391 | 0.98 | SPHK1 (0.48) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7753757 | 0.98 | SPHK1 (0.48) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7026686 | 0.98 | SPHK1 (0.48) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7752440 | 0.98 | SPHK1 (0.48) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7747108 | 0.98 | SPHK1 (0.48) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7747112 | 0.98 | SPHK1 (0.48) | CYP2C9MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL7752558 | 0.98 | SPHK1 (0.48) | CYP2C9MAPTMEN1KMT2AALDH1A1 |
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 2 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 |