Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.55 |
| ▸ | RAB9A | P51151 | 8/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.51 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.51 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2468939 | 1.00 | NPC1 (0.55) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL21134694 | 0.83 | GABRA1 (0.57) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL1786128 | 0.83 | LMNA (0.50) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL23070442 | 0.83 | HPGD (0.53) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| Hydrochloric Acid SCHEMBL28752341 | 0.82 | LMNA (0.49) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL336771 | 0.81 | SMN1; SMN2 (0.63) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL670210 | 0.81 | HPGD (0.51) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL845424 | 0.81 | GABRA1 (0.53) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL25483438 | 0.80 | NPC1 (0.56) | NPC1RAB9AHPGDSMN1; SMN2KMT2A | |
| SCHEMBL9542887 | 0.79 | HPGD (0.50) | NPC1RAB9AHPGDSMN1; SMN2KMT2A |
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-113402516-B | Method for synthesizing isoquinolone derivative by room-temperature C-H activation/cyclization cascade reaction of N-chloroamide | 四川大学 | 2022-11-01 | — | — | CN | disclosed |