Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.77 |
| ▸ | RAB9A | P51151 | 3/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | F3 | P13726 | 3/20 | 0.66 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | ATM | Q13315 | 1/20 | 0.64 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.60 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.60 |
| ▸ | BACE1 | P56817 | 1/20 | 0.57 |
| ▸ | MAOB | P27338 | 4/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.55 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.55 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.55 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.55 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.55 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL30472941 | 1.00 | GSK3B (0.77) | GSK3BRAB9ANPC1F3THRB | |
| SCHEMBL3440661 | 0.87 | GSK3B (1.00) | GSK3BRAB9ANPC1F3THRB | |
| SCHEMBL3440658 | 0.87 | GSK3B (1.00) | GSK3BRAB9ANPC1F3THRB | |
| SCHEMBL856866 | 0.84 | GSK3B (0.80) | GSK3BRAB9ANPC1F3THRB | |
| SCHEMBL856867 | 0.84 | GSK3B (0.80) | GSK3BRAB9ANPC1F3THRB | |
| SCHEMBL31289356 | 0.83 | GSK3B (0.77) | GSK3BRAB9ANPC1F3THRB | |
| SCHEMBL25123555 | 0.81 | GSK3B (0.75) | GSK3BRAB9ANPC1F3THRB | |
| SCHEMBL11549066 | 0.81 | GSK3B (0.87) | GSK3BRAB9ANPC1F3THRB | |
| SCHEMBL14864159 | 0.81 | GSK3B (0.87) | GSK3BRAB9ANPC1F3THRB | |
| SCHEMBL10348538 | 0.81 | GSK3B (0.87) | GSK3BRAB9ANPC1F3THRB |
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-116535374-A | Neoprene A and pharmaceutical composition thereof, and preparation method and application thereof | 北京中科沉香科技股份有限公司 | 2023-08-04 | — | — | CN | claimed |
| CN-116535374-A | Neoprene A and pharmaceutical composition thereof, and preparation method and application thereof | 北京中科沉香科技股份有限公司 | 2023-08-04 | — | — | CN | disclosed |