Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 4/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 8/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13811016 | 0.82 | APP (0.62) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL25001258 | 0.79 | APP (0.58) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL15487095 | 0.79 | CYP2A6 (0.54) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL15487094 | 0.79 | CYP2A6 (0.54) | CYP2A6IMPDH2HPGDHTTAPP | |
| 3-Formylindole SCHEMBL28119225 | 0.78 | CYP2A6 (0.79) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL8739807 | 0.78 | CYP2A6 (0.53) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL14320159 | 0.77 | APP (0.55) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL5174096 | 0.76 | KMT2A (0.64) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL17856541 | 0.76 | KMT2A (0.64) | CYP2A6IMPDH2HPGDHTTAPP | |
| SCHEMBL29819228 | 0.76 | KMT2A (0.64) | CYP2A6IMPDH2HPGDHTTAPP |
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 |
|---|---|---|---|---|---|---|---|
| CN-109535068-B | Pyridine substituted chalcone compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2022-07-29 | — | — | CN | disclosed |