Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.50 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | EP300 | Q09472 | 2/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.39 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL10642216 | 1.00 | IDO1 (0.50) | IDO1ERN1EP300KAT2BKAT8 | |
| SCHEMBL29941311 | 0.78 | IDO1 (0.48) | IDO1ERN1EP300KAT2BKAT8 | |
| SCHEMBL1315474 | 0.78 | IDO1 (0.48) | IDO1ERN1EP300KAT2BKAT8 | |
| SCHEMBL5398756 | 0.76 | PLAU (0.52) | IDO1CYP1A2LMNAHTTKDM4E | |
| SCHEMBL1445945 | 0.76 | PLAU (0.52) | IDO1ERN1HTTKDM4EMAPT | |
| SCHEMBL1133886 | 0.76 | KDM4E (0.48) | IDO1ERN1EP300KAT2BKAT8 | |
| SCHEMBL1133874 | 0.76 | IDO1 (0.46) | IDO1EP300KAT2BKAT8HDAC3 | |
| SCHEMBL12804693 | 0.76 | ALDH1A1 (0.52) | IDO1CYP1A2LMNAHTTKDM4E | |
| SCHEMBL1563993 | 0.76 | IDO1 (0.46) | IDO1ERN1EP300KAT2BKAT8 | |
| SCHEMBL19725154 | 0.76 | IDO1 (0.35) | IDO1ERN1CYP1A2KDM4E |
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-122079889-A | Synthetic method of isoquinoline | — | 2026-05-26 | — | — | CN | disclosed |
| CN-117486797-A | Key intermediate of roflumilast and preparation method of roflumilast | 传健生物医药(厦门)有限公司 | 2024-02-02 | — | — | CN | disclosed |