Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | GRK2 | P25098 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27332909 | 0.85 | HPGDS (0.38) | CA1CA2HCAR2 | |
| SCHEMBL28005777 | 0.84 | DHODH (0.32) | NPC1RAB9AALDH1A1MAPTTDP1 | |
| SCHEMBL28093777 | 0.84 | SLC6A3 (0.40) | CA1CA2NPC1RAB9AHCAR3 | |
| SCHEMBL27330148 | 0.84 | MCL1 (0.40) | ALDH1A1MAPT | |
| SCHEMBL28065629 | 0.83 | FPR2 (0.33) | KMT2AMEN1 | |
| SCHEMBL28084024 | 0.80 | MAOB (0.32) | — | |
| SCHEMBL27739138 | 0.76 | GAA (0.41) | KMT2ARAB9AALDH1A1GAAMEN1 | |
| SCHEMBL28026523 | 0.75 | BCL2L1 (0.39) | KMT2AHCAR3HCAR2ALDH1A1GRK2 | |
| SCHEMBL28014013 | 0.75 | MAPK1 (0.35) | KMT2ANPC1RAB9AMEN1L3MBTL1 | |
| SCHEMBL27483292 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106715440-A | Imidazo isoindole derivative, preparation method therefor and medical use thereof | 江苏恒瑞医药股份有限公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-106068264-A | PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS | 默克专利有限公司 | 2016-11-02 | — | — | CN | disclosed |