Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.49 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL28584265 | 1.00 | HTR2A (0.49) | HTR2ATNFPSMB1PSMB5HTR2C | |
| SCHEMBL22552167 | 0.85 | HTR2A (0.43) | HTR2ATNFPSMB1PSMB5HTR2C | |
| SCHEMBL1757151 | 0.82 | HTR2A (0.46) | HTR2ATNFPSMB1PSMB5HTR2C | |
| SCHEMBL12081932 | 0.80 | HTR2A (0.74) | HTR2AHTR2CALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL28586984 | 0.78 | CYP1A2 (0.45) | HTR2AHTR2C | |
| SCHEMBL28595328 | 0.78 | RXFP1 (0.39) | HTR2APSMB1PSMB5HTR2CSMN1; SMN2 | |
| SCHEMBL30035771 | 0.78 | DDR1 (0.38) | HTR2AHTR2CTDP1 | |
| SCHEMBL78207 | 0.78 | TNF (0.43) | HTR2ATNFPSMB1PSMB5KDM4E | |
| SCHEMBL78206 | 0.78 | TNF (0.43) | HTR2ATNFPSMB1PSMB5KDM4E | |
| SCHEMBL28592439 | 0.78 | DDR1 (0.38) | HTR2AHTR2CTDP1 |
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 3 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-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 |