Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 5/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MARS1 | P56192 | 1/20 | 0.36 |
| ▸ | NFATC1 | O95644 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL30995033 | 0.74 | MARS1 (0.44) | NOTUMF2ALDH1A1NPSR1MARS1 | |
| SCHEMBL30995075 | 0.74 | MARS1 (0.44) | NOTUMF2ALDH1A1NPSR1MARS1 | |
| SCHEMBL31301252 | 0.69 | GSK3B (0.59) | NFATC1GSK3BDYRK1ALIMK1IDO1 | |
| SCHEMBL5549180 | 0.63 | ALDH1A1 (0.58) | NOTUMF2ALDH1A1NPSR1MEN1 | |
| SCHEMBL3612710 | 0.62 | NOTUM (0.62) | NOTUMF2ALDH1A1MARS1LMNA | |
| SCHEMBL3954650 | 0.62 | GSK3B (0.45) | ALDH1A1NFATC1GSK3BDYRK1AMEN1 | |
| SCHEMBL16456555 | 0.62 | GPBAR1 (0.49) | NFATC1GSK3BDYRK1ALIMK1IDO1 | |
| SCHEMBL29068840 | 0.62 | MAOA (0.47) | NFATC1GSK3BDYRK1ALIMK1IDO1 | |
| SCHEMBL23348877 | 0.62 | LATS1 (0.51) | NFATC1GSK3BDYRK1AIDO1 | |
| SCHEMBL29191166 | 0.61 | IDO1 (0.46) | NFATC1GSK3BDYRK1ALIMK1IDO1 |
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-118126046-A | Substituted macrocyclic compound, and preparation method and application thereof | 深圳信立泰药业股份有限公司 | 2024-06-04 | — | — | CN | disclosed |