Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.32 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.32 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.32 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.32 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.32 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 2/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL21181757 | 0.79 | NOTUM (0.32) | ALDH1A1GAAL3MBTL1LOXL2KDM4E | |
| SCHEMBL25786516 | 0.79 | RXRA (0.31) | — | |
| SCHEMBL17002575 | 0.75 | CCR1 (0.38) | NOS3NOS2MAOALOXL2CYP2A6 | |
| SCHEMBL17531150 | 0.74 | HPGD (0.43) | ALDH1A1GAAL3MBTL1KDM4ESYK | |
| Ammonia Solution, Strong SCHEMBL28037175 | 0.74 | CCR1 (0.37) | NOS3NOS2MAOACYP2A6 | |
| SCHEMBL23193106 | 0.74 | GABRA1 (0.48) | ALDH1A1NOS3NOS2KDM4ECYP2A6 | |
| SCHEMBL20347074 | 0.74 | TRPV4 (0.34) | NOS3NOS2MAOACYP2A6 | |
| SCHEMBL11970836 | 0.74 | NOS3 (0.35) | NOS3NOS2HRH4CYP2A6 | |
| SCHEMBL3801869 | 0.73 | NOS2 (0.38) | NOS3NOS2CYP2A6GABRA1GABRB2 | |
| SCHEMBL13256363 | 0.72 | GABRA1 (0.46) | ALDH1A1GAAPTGS2KDM4EGABRA1 |
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-2021043322-A1 | AZEPINO PYRIMIDINE DERIVATIVES AND MEDICAL USE THEREOF | 正大天晴药业集团南京顺欣制药有限公司 | 2021-03-11 | — | — | WO | disclosed |