Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8066546 | 0.87 | AKR1B1 (0.46) | KCNQ2PTPN1NPY2RTRPM8 | |
| SCHEMBL11140484 | 0.82 | HSP90AA1 (0.39) | PTPN1SLC6A2SLC6A4SLC6A3HSP90AA1 | |
| SCHEMBL4191880 | 0.76 | CTBP2 (0.44) | ALDH1A1MEN1KMT2A | |
| SCHEMBL29878136 | 0.74 | PTPN1 (0.47) | PTPN1ARALDH1A1TSHRSLC6A2 | |
| SCHEMBL3165408 | 0.74 | PTPN1 (0.47) | PTPN1ARALDH1A1TSHRSLC6A2 | |
| SCHEMBL8067830 | 0.74 | ENPP2 (0.41) | PTPN1ARALDH1A1GAAMAPT | |
| Water SCHEMBL11327197 | 0.72 | PTPN1 (0.46) | PTPN1ARALDH1A1MAPTTSHR | |
| Hydrochloric Acid SCHEMBL11413879 | 0.72 | PTPN1 (0.46) | PTPN1ARALDH1A1MAPTTSHR | |
| SCHEMBL8255903 | 0.71 | BCL2 (0.46) | ALDH1A1TP53GAAMAPTTSHR | |
| SCHEMBL3871304 | 0.70 | AR (0.50) | ARALDH1A1TP53GAAMAPT |
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-6028080-A | Quinolin-2-(1H)-ones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-02-22 | — | — | US | disclosed |