Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7901284 | 1.00 | RAB9A (0.42) | RAB9AMAPTNPC1SMN1; SMN2PKM | |
| SCHEMBL1553150 | 0.87 | NPC1 (0.44) | RAB9AMAPTNPC1SMN1; SMN2PKM | |
| SCHEMBL30284584 | 0.87 | NPC1 (0.44) | RAB9AMAPTNPC1SMN1; SMN2PKM | |
| SCHEMBL28248906 | 0.86 | MAPT (0.51) | RAB9AMAPTNPC1SMN1; SMN2PKM | |
| SCHEMBL30633069 | 0.85 | NPC1 (0.43) | RAB9AMAPTNPC1SMN1; SMN2MEN1 | |
| SCHEMBL28153735 | 0.85 | NPC1 (0.43) | RAB9AMAPTNPC1SMN1; SMN2MEN1 | |
| SCHEMBL31612033 | 0.85 | NPC1 (0.43) | RAB9AMAPTNPC1SMN1; SMN2MEN1 | |
| SCHEMBL1356606 | 0.85 | NPC1 (0.43) | RAB9AMAPTNPC1SMN1; SMN2MEN1 | |
| SCHEMBL28029132 | 0.84 | HDAC3 (0.36) | RAB9AMAPTNPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4206262 | 0.84 | KMT2A (0.50) | RAB9ANPC1SMN1; SMN2PKMALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114805204-B | Method for preparing 4-iodoisoquinoline-1 (2H) -ketone compound | 云南师范大学 | 2023-09-15 | — | — | CN | claimed |
| 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 |