Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.55 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | METAP2 | P50579 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.47 |
| ▸ | GSK3A | P49840 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28652347 | 0.86 | TP53 (0.60) | TP53SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL2302038 | 0.85 | TP53 (0.68) | TP53SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL16920966 | 0.81 | NPC1 (0.50) | TP53SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL209840 | 0.80 | MAPT (0.61) | TP53SMN1; SMN2NPC1MAPTLMNA | |
| SCHEMBL27900976 | 0.77 | METAP2 (0.53) | TP53SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL16920960 | 0.76 | HTT (0.51) | TP53SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL23962996 | 0.76 | AURKA (0.52) | TP53SMN1; SMN2METAP2MAPK1 | |
| SCHEMBL16920959 | 0.75 | HSD17B10 (0.65) | SMN1; SMN2NPC1RAB9AMAPTMETAP2 | |
| SCHEMBL13058926 | 0.75 | NPSR1 (0.47) | RAB9AMAPTLMNAMETAP2ALDH1A1 | |
| SCHEMBL3919430 | 0.73 | GSK3A (0.62) | TP53SMN1; SMN2NPC1RAB9AMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113549057-B | Snail inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2023-01-31 | — | — | CN | disclosed |
| WO-2021213111-A1 | SNAIL INHIBITOR, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 中国药科大学 (CN) | 2021-10-28 | — | — | WO | disclosed |
| WO-2021213111-A1 | SNAIL INHIBITOR, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 中国药科大学 (CN) | 2021-10-28 | — | — | WO | disclosed |
| CN-113549057-A | Snail inhibitor and derivative thereof, preparation method, pharmaceutical composition and application | 中国药科大学 | 2021-10-26 | — | — | CN | disclosed |