Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13913928 | 0.78 | HPGD (0.50) | NPC1RAB9ALMNAPOLBHTT | |
| SCHEMBL9530474 | 0.76 | MAPK1 (0.53) | MAPTPKMALDH1A1NPC1RAB9A | |
| SCHEMBL28357205 | 0.75 | HDAC6 (0.53) | MAPTPKMALDH1A1NPC1RAB9A | |
| SCHEMBL28353372 | 0.74 | HDAC6 (0.64) | PKMALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL8101641 | 0.74 | PKM (0.47) | MAPTPKMALDH1A1NPC1RAB9A | |
| SCHEMBL8032700 | 0.73 | HTR1A (0.49) | MAPTPKMALDH1A1NPC1RAB9A | |
| SCHEMBL13791595 | 0.72 | NPSR1 (0.75) | MAPTPKMALDH1A1NPC1RAB9A | |
| SCHEMBL13818458 | 0.72 | GAA (0.43) | MAPTALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL13913925 | 0.72 | GAA (0.46) | MAPTALDH1A1NPC1RAB9ALMNA | |
| SCHEMBL10985991 | 0.72 | NPC1 (0.78) | MAPTPKMALDH1A1NPC1RAB9A |
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-111116506-A | Synthetic method of aromatic mercapto-diazole derivative | 浙江大学衢州研究院 | 2020-05-08 | — | — | CN | disclosed |
| CN-110698422-A | Synthetic method of aromatic mercapto-diazole derivative | 浙江大学 | 2020-01-17 | — | — | CN | disclosed |