Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | NAAA | Q02083 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | PHGDH | O43175 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23864902 | 0.82 | ALDH1A1 (0.43) | TSHRALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL22312249 | 0.79 | KMT2A (0.52) | ALDH1A1MEN1GAAKMT2ANPC1 | |
| SCHEMBL22276261 | 0.75 | FAAH (0.42) | TSHRALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL10108195 | 0.74 | TSHR (0.52) | TSHRALDH1A1MAPTLMNANPC1 | |
| SCHEMBL21480025 | 0.74 | NPC1 (0.46) | ALDH1A1MAPTHPGDMEN1GAA | |
| SCHEMBL20419648 | 0.73 | FAAH (0.40) | ALDH1A1HPGDMEN1KMT2ALMNA | |
| Trimethylammonium SCHEMBL27954231 | 0.70 | TSHR (0.79) | TSHRALDH1A1MAPTCA1CA2 | |
| SCHEMBL1019064 | 0.70 | PPIB (0.52) | ALDH1A1MAPTHPGDMEN1GAA | |
| SCHEMBL2290221 | 0.69 | SMN1; SMN2 (0.51) | TSHRALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL5450319 | 0.69 | TSHR (0.61) | TSHRALDH1A1MAPTNPC1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020125391-A1 | AMINOPYRIMIDINE COMPOUND USED FOR INHIBITING ACTIVITY OF PROTEIN KINASE | 深圳市塔吉瑞生物医药有限公司 | 2020-06-25 | — | — | WO | disclosed |