Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.37 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | GSR | P00390 | 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 | |
|---|---|---|---|---|
| SCHEMBL9374075 | 0.84 | CDYL2 (0.40) | HSD17B10HTTUSP2GAAKMT2A | |
| SCHEMBL5886612 | 0.80 | EGFR (0.54) | EGFRHSD17B10HTTALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL4800214 | 0.79 | EGFR (0.53) | EGFRHSD17B10HTTALDH1A1MAPT | |
| SCHEMBL8998987 | 0.76 | EGFR (0.72) | EGFRHSD17B10HTTALDH1A1MAPT | |
| Trifluoroacetic Acid SCHEMBL4803371 | 0.73 | EGFR (0.47) | EGFRHSD17B10HTTALDH1A1MAPT | |
| SCHEMBL8694063 | 0.73 | IDO1 (0.41) | HSD17B10HTTALDH1A1MAPTKDM4E | |
| SCHEMBL3201173 | 0.72 | EGFR (0.65) | EGFRHSD17B10HTTMAPTKDM4E | |
| SCHEMBL9375036 | 0.69 | MAPT (0.45) | HSD17B10HTTALDH1A1MAPTKDM4E | |
| SCHEMBL320134 | 0.69 | IDO1 (0.57) | EGFRHSD17B10HTTMAPTKDM4E | |
| SCHEMBL9373626 | 0.69 | POLQ (0.39) | ALDH1A1KMT2ATP53 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0623111-A1 | NITROQUINOLONE DERIVATIVES AS NMDA ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1994-11-09 | — | — | EP | claimed |
| WO-1993014067-A1 | NITROQUINOLONE DERIVATIVES AS NMDA ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-07-22 | — | — | WO | claimed |
| US-5376748-A | Antiepileptic agents, anticonvulsants | MERCK SHARP & DOHME LIMITED (GB) | 1994-12-27 | — | — | US | disclosed |
| EP-0623111-A1 | NITROQUINOLONE DERIVATIVES AS NMDA ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1994-11-09 | — | — | EP | disclosed |
| WO-1993014067-A1 | NITROQUINOLONE DERIVATIVES AS NMDA ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-07-22 | — | — | WO | disclosed |