Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28586105 | 1.00 | NPC1 (0.47) | NPC1RAB9ALMNAKDM4EALDH1A1 | |
| SCHEMBL28476983 | 0.85 | ADORA3 (0.35) | NPC1RAB9AALDH1A1TDP1L3MBTL1 | |
| SCHEMBL28691381 | 0.82 | GSK3B (0.41) | NPC1RAB9AKDM4ENPSR1TDP1 | |
| SCHEMBL28655309 | 0.82 | NPC1 (0.42) | NPC1RAB9ALMNAKDM4EALDH1A1 | |
| SCHEMBL28661674 | 0.82 | NPC1 (0.42) | NPC1RAB9ALMNAKDM4EALDH1A1 | |
| SCHEMBL28658071 | 0.79 | ALDH1A1 (0.47) | NPC1RAB9ALMNAKDM4EALDH1A1 | |
| SCHEMBL28653098 | 0.79 | CYP1A2 (0.47) | NPC1RAB9ALMNAKDM4EALDH1A1 | |
| SCHEMBL28650268 | 0.79 | ALOX5 (0.37) | NPC1RAB9ALMNAKDM4EALDH1A1 | |
| SCHEMBL28650363 | 0.79 | ALOX5 (0.37) | NPC1RAB9ALMNAKDM4EALDH1A1 | |
| SCHEMBL28650037 | 0.78 | TP53 (0.39) | NPC1RAB9ALMNAMAPTGAA |
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-111233783-B | Synthetic method of isothiazol-4-yl disulfide derivative | 温州大学 | 2021-11-16 | — | — | CN | disclosed |