Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | RORA | P35398 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 1/20 | 0.47 |
| ▸ | RORB | Q92753 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.46 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.46 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.45 |
| ▸ | CDK4 | P11802 | 2/20 | 0.44 |
| ▸ | CCND1 | P24385 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4552574 | 0.95 | TNF (0.63) | TNFTDP1L3MBTL1KDM4EHTT | |
| SCHEMBL28525351 | 0.94 | TNF (0.61) | TNFTDP1L3MBTL1HDAC3HDAC1 | |
| SCHEMBL28525147 | 0.90 | TNF (0.59) | TNFTDP1KDM4EHTTCNR2 | |
| SCHEMBL29809435 | 0.90 | TNF (0.59) | TNFTDP1KDM4EHTTCNR2 | |
| SCHEMBL29809320 | 0.82 | TNF (0.55) | TNFTDP1KDM4EACHEPSMB1 | |
| SCHEMBL179072 | 0.82 | TNF (0.55) | TNFTDP1KDM4EACHEPSMB1 | |
| SCHEMBL1035977 | 0.82 | TNF (0.56) | TNFL3MBTL1KDM4EHTTACHE | |
| SCHEMBL30763526 | 0.82 | TNF (0.56) | TNFL3MBTL1KDM4EHTTACHE | |
| SCHEMBL29161608 | 0.82 | TNF (0.56) | TNFL3MBTL1KDM4EHTTACHE | |
| SCHEMBL21480859 | 0.81 | KDM4E (0.69) | TNFTDP1L3MBTL1KDM4EHTT |
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 |