Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.39 |
| ▸ | ESR1 | P03372 | 6/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 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 | |
|---|---|---|---|---|
| SCHEMBL9549268 | 1.00 | CYP2C9 (0.49) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9548930 | 0.96 | CYP2C9 (0.52) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9548931 | 0.96 | CYP2C9 (0.52) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9549021 | 0.91 | CYP2C9 (0.49) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9549018 | 0.91 | CYP2C9 (0.49) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9549388 | 0.91 | CYP2C9 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9549379 | 0.91 | CYP2C9 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9548965 | 0.89 | SPHK1 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9548970 | 0.89 | SPHK1 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL3480731 | 0.87 | CYP2C9 (0.50) | 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 |