Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL32665750 | 1.00 | GPR3 (0.46) | GPR3CYP1A2CYP2C19KDM4EATM | |
| SCHEMBL3890065 | 1.00 | GPR3 (0.46) | GPR3CYP1A2CYP2C19KDM4EATM | |
| SCHEMBL3898419 | 0.84 | ALDH1A1 (0.35) | GPR3CYP1A2CYP2C19KDM4EATM | |
| SCHEMBL28342656 | 0.82 | CA1 (0.42) | KDM4EIMPDH2ALDH1A1TSHRGAA | |
| SCHEMBL30118271 | 0.81 | KDM4E (0.47) | GPR3CYP1A2CYP2C19KDM4EATM | |
| SCHEMBL30118254 | 0.78 | NPY5R (0.37) | CYP1A2CYP2C19KDM4EMEN1KMT2A | |
| SCHEMBL8667753 | 0.74 | CA1 (0.54) | KDM4EL3MBTL1MEN1KMT2AALDH1A1 | |
| SCHEMBL1537773 | 0.74 | GPR3 (0.46) | GPR3CYP1A2CYP2C19KDM4EATM | |
| SCHEMBL3301059 | 0.74 | GPR3 (0.46) | GPR3CYP1A2CYP2C19KDM4EATM | |
| SCHEMBL11483570 | 0.74 | GPR3 (0.46) | GPR3CYP1A2CYP2C19KDM4EATM |
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-115340523-B | Compound with ALK inhibitory activity and preparation method and application thereof | 盛世泰科生物医药技术(苏州)股份有限公司 | 2023-12-15 | — | — | CN | disclosed |
| CN-115340523-A | Compound with ALK inhibitory activity and preparation method and application thereof | 盛世泰科生物医药技术(苏州)有限公司 | 2022-11-15 | — | — | CN | disclosed |