Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HRH2 | P25021 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | UCHL1 | P09936 | 3/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28398406 | 0.81 | STS (0.48) | NPC1USP30POLB | |
| SCHEMBL18338006 | 0.79 | KLK7 (0.52) | ALDH1A1NPC1HDAC8LMNANPSR1 | |
| SCHEMBL18338005 | 0.79 | KLK7 (0.52) | ALDH1A1NPC1HDAC8LMNANPSR1 | |
| SCHEMBL14485151 | 0.73 | PSEN1 (0.41) | ALDH1A1NPC1LMNANPSR1POLB | |
| SCHEMBL30987668 | 0.73 | HSD17B10 (0.51) | ALDH1A1NPC1LMNANPSR1UCHL1 | |
| SCHEMBL17645361 | 0.72 | TAS1R3 (0.39) | ALDH1A1NPC1NPSR1L3MBTL1MEN1 | |
| SCHEMBL441130 | 0.72 | NPC1 (0.51) | ALDH1A1NPC1LMNANPSR1HRH2 | |
| SCHEMBL14239629 | 0.71 | CHEK2 (0.43) | ALDH1A1LMNANPSR1HRH2OPRK1 | |
| SCHEMBL25428390 | 0.71 | HSD17B10 (0.52) | ALDH1A1NPC1LMNANPSR1UCHL1 | |
| SCHEMBL17645463 | 0.71 | NPC1 (0.41) | NPC1MEN1KMT2A |
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-111196804-B | TGF-beta R1 inhibitors and uses thereof | 南京圣和药业股份有限公司 | 2023-11-07 | — | — | CN | disclosed |
| CN-111196804-A | TGF- β R1 inhibitor and application thereof | 南京圣和药业股份有限公司 | 2020-05-26 | — | — | CN | disclosed |