Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.53 |
| ▸ | PARP1 | P09874 | 2/20 | 0.53 |
| ▸ | GRM5 | P41594 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.45 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.45 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.45 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.45 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.45 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.45 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.45 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | TYMS | P04818 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1551818 | 1.00 | AHR (0.53) | AHRPARP1GRM5ROCK2DAO | |
| SCHEMBL30673402 | 0.84 | PARP1 (0.53) | AHRPARP1DAOROCK1PRKACA | |
| SCHEMBL1536413 | 0.84 | PARP1 (0.53) | AHRPARP1DAOROCK1PRKACA | |
| SCHEMBL5983565 | 0.83 | JAK2 (0.41) | AHRPARP1GRM5ROCK2CHEK1 | |
| SCHEMBL23416327 | 0.83 | ROCK2 (0.45) | AHRPARP1GRM5ROCK2ROCK1 | |
| SCHEMBL6922954 | 0.81 | PRKACA (0.53) | PARP1GRM5ROCK2PRKACACHEK1 | |
| SCHEMBL2052887 | 0.78 | GRM5 (0.74) | PARP1GRM5ROCK2JAK2 | |
| SCHEMBL3314460 | 0.78 | GPR84 (0.52) | PARP1GRM5ROCK2ROCK1PRKACA | |
| SCHEMBL25009087 | 0.77 | HTR2C (0.46) | PARP1GRM5ROCK2ROCK1PRKACA | |
| SCHEMBL6797681 | 0.76 | PARP1 (0.53) | PARP1GRM5ROCK2ROCK1PRKACA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114805204-A | Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound | 云南师范大学 | 2022-07-29 | — | — | CN | claimed |
| CN-113923988-B | Substituted arylmethyl ureas and heteroarylmethyl ureas, analogs thereof, and methods of using the same | 爱彼特生物制药公司 | 2024-12-13 | — | — | CN | disclosed |
| CN-118451079-A | Benzopiperidine derivative modulators, methods of preparation and uses thereof | 上海翰森生物医药科技有限公司 | 2024-08-06 | — | — | CN | disclosed |
| CN-114805204-B | Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound | 云南师范大学 | 2023-09-15 | — | — | CN | disclosed |
| CN-114805204-A | Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound | 云南师范大学 | 2022-07-29 | — | — | CN | disclosed |