Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | PKM | P14618 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.52 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.48 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.48 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.48 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.48 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL28638922 | 0.86 | LMNA (0.55) | NPC1RAB9APKMLMNANAPRT | |
| Butane SCHEMBL11072622 | 0.86 | ALDH1A1 (0.57) | NPC1RAB9APKMLMNANAPRT | |
| Alcohol SCHEMBL10427585 | 0.86 | ALDH1A1 (0.57) | NPC1RAB9APKMLMNANAPRT | |
| Methyl Alcohol SCHEMBL27566724 | 0.86 | ALDH1A1 (0.65) | NPC1RAB9APKMLMNANAPRT | |
| Acetic Acid SCHEMBL27791292 | 0.84 | ALDH1A1 (0.64) | NPC1RAB9APKMLMNANAPRT | |
| SCHEMBL1505348 | 0.84 | — | — | |
| SCHEMBL61183 | 0.84 | — | — | |
| SCHEMBL4914089 | 0.84 | CES2 (0.67) | NPC1RAB9APKMLMNANAPRT | |
| Acetamide SCHEMBL28279496 | 0.82 | ALDH1A1 (0.67) | NPC1RAB9APKMLMNANAPRT | |
| Fluoromethane SCHEMBL27831743 | 0.82 | ALDH1A1 (0.61) | NPC1RAB9APKMLMNANAPRT |
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-105732616-B | Pyrrolopyridines of the amide structure containing biaryl and its preparation method and application | 江西科技师范大学 | 2018-07-27 | — | — | CN | disclosed |
| CN-105732616-A | Pyrrolopyridine compounds containing biaryl amide structure, preparation method and applications thereof | 江西科技师范大学 | 2016-07-06 | — | — | CN | disclosed |