Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LIPG | Q9Y5X9 | 6/20 | 0.41 |
| ▸ | LPL | P06858 | 5/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | F11 | P03951 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 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 | |
|---|---|---|---|---|
| SCHEMBL21886955 | 0.85 | EPHX2 (0.48) | EPHX2 | |
| SCHEMBL426570 | 0.79 | LPL (0.57) | ALDH1A1LIPGLPLHTTKMT2A | |
| SCHEMBL586178 | 0.79 | LPL (0.56) | LIPGLPLHTTKMT2ATHRA | |
| SCHEMBL17403015 | 0.78 | LPL (0.59) | LIPGLPLHTTKMT2ATHRA | |
| Hydrochloric Acid SCHEMBL27248303 | 0.78 | LPL (0.55) | LIPGLPLF2F11PRSS1 | |
| SCHEMBL171775 | 0.73 | ALDH1A1 (0.55) | ALDH1A1KDM4ESIGMAR1 | |
| SCHEMBL701173 | 0.72 | HRH3 (0.64) | ALDH1A1SIGMAR1 | |
| SCHEMBL132390 | 0.72 | LPL (0.59) | LIPGLPLF2F11PRSS1 | |
| SCHEMBL2822368 | 0.72 | POLB (0.67) | KMT2A | |
| SCHEMBL146568 | 0.71 | HRH3 (0.56) | ALDH1A1LIPGLPLHTTF11 |
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-2021078141-A1 | NOVEL PURINE DERIVATIVE, INTERMEDIATE AND APPLICATION THEREOF IN PREPARING ANTICANCER MEDICINE | 苏州锐明新药研发有限公司 | 2021-04-29 | — | — | WO | disclosed |