Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IP6K1 | Q92551 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.35 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155488 | 0.80 | KDM4E (0.42) | ELANEL3MBTL1ALDH1A1POLBJAK2 | |
| SCHEMBL20155610 | 0.76 | SMN1; SMN2 (0.36) | IP6K1ELANESMN1; SMN2L3MBTL1ALDH1A1 | |
| SCHEMBL20155112 | 0.76 | ADORA3 (0.52) | P2RX7ADORA3PARP1KDM4CMAPT | |
| SCHEMBL20155518 | 0.75 | KDM4E (0.36) | ALDH1A1P2RX7JAK2ADORA3PARP1 | |
| SCHEMBL20155622 | 0.71 | JAK2 (0.34) | ALDH1A1JAK2PARP1KDM4EHPGD | |
| SCHEMBL20155613 | 0.70 | PARP1 (0.38) | SMN1; SMN2ALDH1A1PARP1KDM4EHPGD | |
| SCHEMBL31564796 | 0.68 | AURKA (0.44) | IP6K1SMN1; SMN2ALDH1A1JAK2ADORA3 | |
| SCHEMBL22216158 | 0.66 | PARP1 (0.37) | ALDH1A1POLBJAK2PARP1KDM4E | |
| SCHEMBL29472064 | 0.65 | GABRP (0.51) | IP6K1ROCK2ELANENSD2ABL1 | |
| SCHEMBL17032628 | 0.65 | GABRP (0.51) | IP6K1ROCK2ELANENSD2ABL1 |
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-2018086604-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 |