Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 3/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 5/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL28688126 | 0.89 | KDM4E (0.59) | KDM4EALDH1A1USP2MAPTCYP2D6 | |
| SCHEMBL20155143 | 0.82 | ALDH1A1 (0.47) | KDM4EALDH1A1USP2SLC22A12MAPK1 | |
| SCHEMBL28696921 | 0.82 | KDM4E (0.54) | KDM4EALDH1A1USP2MAPTCYP2D6 | |
| SCHEMBL29845834 | 0.80 | TTR (0.56) | ALDH1A1MAPTMEN1HPGDKMT2A | |
| SCHEMBL28681143 | 0.79 | KDM4E (0.51) | KDM4EALDH1A1USP2MAPTCYP2D6 | |
| SCHEMBL28678291 | 0.79 | KDM4E (0.55) | KDM4EALDH1A1USP2MAPTCYP2D6 | |
| SCHEMBL28691780 | 0.78 | KDM4E (0.67) | KDM4EALDH1A1USP2MAPTCYP2D6 | |
| SCHEMBL29845884 | 0.77 | EPAS1 (0.47) | KDM4EALDH1A1MAPTCYP2D6MEN1 | |
| SCHEMBL28682193 | 0.77 | KDM4E (0.56) | KDM4EALDH1A1USP2MAPTCYP2D6 | |
| SCHEMBL20154990 | 0.77 | EPAS1 (0.47) | KDM4EALDH1A1MAPTCYP2D6MEN1 |
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 |