Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.37 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30410851 | 0.76 | KDR (0.44) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL30395502 | 0.75 | GPR119 (0.47) | ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL30395415 | 0.74 | KDM4E (0.36) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL30184310 | 0.74 | MAPK13 (0.44) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL30411359 | 0.73 | KDM4E (0.41) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL30395140 | 0.73 | KDM4E (0.38) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25505138 | 0.73 | KDM4E (0.44) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25118135 | 0.72 | KDM4E (0.43) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL25842417 | 0.69 | ALDH1A1 (0.40) | ALDH1A1KDM4EL3MBTL1HPGDHSD17B10 | |
| SCHEMBL22853361 | 0.68 | MAPT (0.76) | ALDH1A1KDM4EHPGDHSD17B10MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023078267-A1 | AMINO-CONTAINING MACROCYCLIC COMPOUND AS PROTEIN KINASE MODULATOR | 赛诺哈勃药业（成都）有限公司 | 2023-05-11 | — | — | WO | disclosed |
| CN-116063326-A | Amino-containing macrocyclic compounds as protein kinase modulators | 赛诺哈勃药业（成都）有限公司 | 2023-05-05 | — | — | CN | disclosed |