Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27565044 | 0.83 | DRD2 (0.46) | ALDH1A1MAPTKDM4EGAAPTK2B | |
| SCHEMBL25530113 | 0.81 | MAP4K4 (0.37) | SLC6A3HTR1A | |
| SCHEMBL12714783 | 0.78 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1MAPTKDM4EGAA | |
| SCHEMBL9525829 | 0.75 | MAPT (0.41) | ALDH1A1L3MBTL1MAPTKDM4EGAA | |
| SCHEMBL25529972 | 0.75 | — | — | |
| SCHEMBL24620323 | 0.74 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1MAPTKDM4EGAA | |
| SCHEMBL30833057 | 0.74 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1MAPTKDM4EGAA | |
| SCHEMBL24054860 | 0.73 | ADRA2C (0.53) | ALDH1A1L3MBTL1MAPTKDM4EGAA | |
| SCHEMBL9523246 | 0.71 | DRD3 (0.56) | ALDH1A1KDM4EMAPK1KMT2ADRD2 | |
| SCHEMBL3433100 | 0.71 | ADRA2C (0.64) | ALDH1A1L3MBTL1MAPTKDM4EGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0249043-B1 | QUINOLINECARBOXYLIC ACID DERIVATIVES | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1993-08-04 | — | — | EP | disclosed |
| US-5086049-A | Bactericides | NIPPONSHINYAKU CO., LTD. (JP) | 1992-02-04 | — | — | US | disclosed |
| US-4843070-A | BACTERIDCIDES, FUNGICIDES | NIPPON SHINYAKU CO., LTD. (JP) | 1989-06-27 | — | — | US | disclosed |
| EP-0249043-A2 | Quinolinecarboxylic acid derivatives | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1987-12-16 | — | — | EP | disclosed |