Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 10/20 | 0.36 |
| ▸ | FNTA | P49354 | 1/20 | 0.35 |
| ▸ | FNTB | P49356 | 1/20 | 0.35 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.32 |
| ▸ | SYK | P43405 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20155469 | 0.86 | KDM4E (0.42) | KDM4EALDH1A1USP2SLC22A12 | |
| SCHEMBL20155409 | 0.82 | SLC6A2 (0.39) | ALDH1A1HPGDEGFRSCN9A | |
| SCHEMBL20155354 | 0.80 | MAPT (0.44) | KDM4EALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL18000582 | 0.79 | KDM4E (0.44) | KDM4EALDH1A1USP2MEN1HPGD | |
| SCHEMBL28688126 | 0.79 | KDM4E (0.59) | KDM4EALDH1A1USP2SLC22A12FNTA | |
| SCHEMBL15069404 | 0.77 | AR (0.39) | KDM4EALDH1A1USP2MEN1KMT2A | |
| SCHEMBL13183400 | 0.77 | VCAM1 (0.38) | KDM4EALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL11971323 | 0.77 | GPR35 (0.36) | KDM4EALDH1A1SLC22A12NOS2EGFR | |
| SCHEMBL30722717 | 0.77 | GPR35 (0.36) | KDM4EALDH1A1SLC22A12NOS2EGFR | |
| SCHEMBL20155416 | 0.75 | SLC6A2 (0.40) | ALDH1A1HPGDMAPTEGFR |
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 |