Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.36 |
| ▸ | KDR | P35968 | 5/20 | 0.36 |
| ▸ | FLT3 | P36888 | 3/20 | 0.36 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.34 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | KIT | P10721 | 1/20 | 0.33 |
| ▸ | FLT1 | P17948 | 1/20 | 0.33 |
| ▸ | FLT4 | P35916 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | GCGR | P47871 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29967871 | 0.80 | BTK (0.38) | HDAC1HDAC2HDAC3KDRFLT3 | |
| SCHEMBL29967525 | 0.80 | GCGR (0.35) | MEN1KMT2AACMSDPTGER1GCGR | |
| SCHEMBL29967807 | 0.78 | KDR (0.50) | HDAC1HDAC2HDAC3KDRFLT3 | |
| SCHEMBL29968057 | 0.77 | PTGDR2 (0.36) | MEN1KMT2A | |
| SCHEMBL29967767 | 0.68 | FABP4 (0.37) | MEN1KMT2AACMSDPTGS2 | |
| SCHEMBL21386468 | 0.68 | KDR (0.37) | HDAC1HDAC2HDAC3KDRFLT3 | |
| SCHEMBL29967688 | 0.67 | CNR2 (0.38) | ACMSDPTGS2 | |
| SCHEMBL29967824 | 0.66 | KDM4E (0.49) | MEN1KMT2APTGS2 | |
| SCHEMBL29968082 | 0.65 | KDR (0.63) | KDRFLT3LCKCSF1RKIT | |
| SCHEMBL11857930 | 0.65 | ACMSD (0.54) | HDAC1HDAC2HDAC3ACMSD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |