Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CTSA | P10619 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30006842 | 0.88 | RAB9A (0.45) | TDP1NPC1PLAUPOLBRAB9A | |
| SCHEMBL21722444 | 0.86 | TDP1 (0.49) | TDP1NPC1NR3C2NPSR1PARP14 | |
| SCHEMBL28001171 | 0.84 | KDM4E (0.50) | NPSR1KDM4EALDH1A1IKBKB | |
| SCHEMBL1101140 | 0.81 | PLAU (0.53) | NPC1SMN1; SMN2LMNAPLAUPOLB | |
| SCHEMBL29503858 | 0.81 | PLAU (0.53) | NPC1SMN1; SMN2LMNAPLAUPOLB | |
| SCHEMBL30006624 | 0.81 | NR3C2 (0.42) | NR3C2PLAUKDM4EAURKARPS6KB1 | |
| SCHEMBL29056033 | 0.79 | GRM2 (0.47) | NPC1NR3C2PARP10SMN1; SMN2LMNA | |
| SCHEMBL1503239 | 0.77 | KDM4E (0.45) | TDP1NPC1NPSR1PARP10SMN1; SMN2 | |
| SCHEMBL30006999 | 0.77 | KDM4E (0.47) | NPSR1SMN1; SMN2POLBKDM4EALDH1A1 | |
| SCHEMBL15540355 | 0.77 | HPGD (0.53) | NPSR1PARP14PARP10SMN1; SMN2LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111808023-B | Method for preparing 3-aryl isoquinoline derivative | 四川大学 | 2022-10-21 | — | — | CN | disclosed |