Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | ABL1 | P00519 | 3/20 | 0.53 |
| ▸ | BCR | P11274 | 3/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.52 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | JAK2 | O60674 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | RHOC | P08134 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17474769 | 0.90 | NPC1 (0.66) | NPC1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL38659322 | 0.86 | NPC1 (0.61) | NPC1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL13257803 | 0.86 | NPC1 (0.60) | NPC1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL16238686 | 0.86 | NPC1 (0.60) | NPC1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL17474756 | 0.85 | NPC1 (0.68) | NPC1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL16238432 | 0.84 | NPC1 (0.60) | NPC1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL13257804 | 0.84 | NPC1 (0.60) | NPC1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL28401049 | 0.83 | ABL1 (0.60) | KMT2AMEN1NPSR1ABL1BCR | |
| SCHEMBL29639973 | 0.83 | NPC1 (0.71) | NPC1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL78329 | 0.83 | NPC1 (0.77) | NPC1KMT2AMEN1NPSR1LMNA |
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-114437113-B | Thiazolopyridine cyclotriazole compound, and preparation method and application thereof | 西安交通大学 | 2023-05-02 | — | — | CN | disclosed |
| CN-114437113-A | Thiazolopyridine ring-linked triazole compound and preparation method and application thereof | 西安交通大学 | 2022-05-06 | — | — | CN | disclosed |