Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | DAO | P14920 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4510179 | 0.78 | JAK2 (0.39) | HTR2CHTR2BJAK2JAK1TYK2 | |
| SCHEMBL15039547 | 0.76 | CA2 (0.40) | HTR2CHTR2BJAK2JAK1TYK2 | |
| SCHEMBL20617076 | 0.74 | CA1 (0.32) | MMP1MMP2MMP3MMP8MMP13 | |
| SCHEMBL20617791 | 0.71 | CA1 (0.31) | MMP1MMP2MMP3MMP8MMP13 | |
| SCHEMBL14049126 | 0.70 | JAK2 (0.31) | HTR2CHTR2BJAK2JAK1TYK2 | |
| SCHEMBL21371771 | 0.70 | ALDH1A1 (0.45) | JAK2JAK1TYK2ALDH1A1PKM | |
| SCHEMBL24571810 | 0.70 | ALOX5 (0.38) | HTR2CHTR2BJAK2JAK1TYK2 | |
| SCHEMBL22339697 | 0.69 | CA12 (0.31) | HTR2CHTR2BJAK2JAK1TYK2 | |
| SCHEMBL24393019 | 0.68 | ALOX5 (0.41) | HTR2CHTR2BALOX5CA12CA1 | |
| SCHEMBL21058020 | 0.68 | ALOX5 (0.36) | HTR2CHTR2BALOX5DAO |
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-2018086585-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF | 山东罗欣药业集团股份有限公司 | 2018-05-17 | — | — | WO | disclosed |