Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | CCR6 | P51684 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | APEX1 | P27695 | 2/20 | 0.33 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29564321 | 0.88 | TP53 (0.34) | ALDH1A1KDM4EMAPTGAAPTGS2 | |
| SCHEMBL29564756 | 0.86 | TDP1 (0.32) | TDP1GAALMNATSHRKMT2A | |
| SCHEMBL24328743 | 0.86 | BRD4 (0.42) | ALDH1A1KDM4ESMN1; SMN2MAPTLMNA | |
| SCHEMBL24329754 | 0.85 | BRD4 (0.42) | KDM4EPTGS2TSHRKMT2ABRD4 | |
| SCHEMBL24329099 | 0.84 | KMT2A (0.40) | ALDH1A1KDM4ESMN1; SMN2MAPTGAA | |
| SCHEMBL24329187 | 0.81 | KCNH2 (0.38) | ALDH1A1MAPTTDP1LMNATHRB | |
| SCHEMBL24328744 | 0.80 | MEN1 (0.39) | ALDH1A1KDM4EKMT2AMEN1HPGD | |
| SCHEMBL24329755 | 0.78 | — | — | |
| SCHEMBL24329174 | 0.73 | HTR2A (0.34) | ALDH1A1MAPTGAATSHR | |
| SCHEMBL24328739 | 0.71 | MAOA (0.40) | ALDH1A1KDM4ESMN1; SMN2PTGS2GPBAR1 |
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-2022080346-A1 | NOVEL NITROGEN-CONTAINING CYCLIC COMPOUND AND APPLICATION THEREOF | 国立大学法人佐賀大学 | 2022-04-21 | — | — | WO | disclosed |