Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.41 |
| ▸ | ESR1 | P03372 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 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 | |
|---|---|---|---|---|
| SCHEMBL9549195 | 1.00 | CYP2C9 (0.52) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9548933 | 0.96 | CYP2C9 (0.49) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9548935 | 0.96 | CYP2C9 (0.49) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9549151 | 0.96 | CYP2C9 (0.49) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9549157 | 0.96 | CYP2C9 (0.49) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9549033 | 0.90 | CYP2C9 (0.43) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9549042 | 0.90 | CYP2C9 (0.43) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9549266 | 0.88 | SPHK1 (0.43) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9549258 | 0.88 | SPHK1 (0.43) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9548957 | 0.86 | MAPT (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5188759-A | HALOACETYLENE DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-02-23 | — | — | US | disclosed |