Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27620749 | 0.82 | NPC1 (0.53) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL5784751 | 0.82 | NPC1 (0.53) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL27891386 | 0.82 | NPC1 (0.53) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL27680141 | 0.82 | AGXT (0.61) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL826938 | 0.82 | ALDH1A1 (0.55) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL27678304 | 0.82 | NPC1 (0.53) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL17164822 | 0.81 | NPC1 (0.61) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL23412356 | 0.81 | KDM4E (0.62) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL23412131 | 0.81 | KDM4E (0.62) | ALDH1A1NPC1RAB9APOLBMAPT | |
| SCHEMBL23412255 | 0.81 | KDM4E (0.62) | ALDH1A1NPC1RAB9APOLBMAPT |
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-105492075-B | Inhibitors of viral replication, their preparation method and their therapeutical uses | HIVIH公司 | 2019-11-12 | — | — | CN | disclosed |
| CN-105492075-A | Inhibitors of viral replication, their process of preparation and their therapeutical uses | MUTABILIS SA | 2016-04-13 | — | — | CN | disclosed |