Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8881644 | 0.93 | TSHR (0.52) | ALDH1A1TSHRSLC6A2SLC6A3MAPK1 | |
| SCHEMBL502 | 0.93 | TSHR (0.52) | ALDH1A1TSHRSLC6A2SLC6A3MAPK1 | |
| SCHEMBL7617607 | 0.91 | TSHR (0.50) | ALDH1A1TSHRSLC6A2SLC6A3MAPK1 | |
| SCHEMBL27597789 | 0.89 | TSHR (0.48) | ALDH1A1TSHRSLC6A2SLC6A3MAPK1 | |
| Methylene Chloride SCHEMBL28121276 | 0.87 | TSHR (0.46) | ALDH1A1TSHRSLC6A2SLC6A3MAPK1 | |
| Cyanide SCHEMBL27392144 | 0.87 | TSHR (0.46) | ALDH1A1TSHRSLC6A2SLC6A3MAPK1 | |
| SCHEMBL28211884 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRSLC6A2SLC6A3MAPK1 | |
| SCHEMBL131471 | 0.81 | IDO1 (0.55) | TSHRIDO1AGXTLMNAPTGS1 | |
| SCHEMBL5545390 | 0.80 | LMNA (0.58) | SLC6A2SLC6A3L3MBTL1MAOBLMNA | |
| Butanal SCHEMBL28120489 | 0.80 | ALDH1A1 (0.40) | ALDH1A1TSHRMAPK1L3MBTL1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105307662-B | 4 '-fluoro-2' -methyl substituted nucleoside derivatives | 里博科学有限责任公司 | 2019-06-04 | — | — | CN | disclosed |