Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.61 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | MMP1 | P03956 | 5/20 | 0.56 |
| ▸ | MMP2 | P08253 | 5/20 | 0.56 |
| ▸ | MMP9 | P14780 | 5/20 | 0.56 |
| ▸ | EGFR | P00533 | 4/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28188596 | 1.00 | HTT (1.00) | HTTKMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL6829697 | 0.85 | HTT (0.74) | HTTKMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL6829701 | 0.85 | HTT (0.74) | HTTKMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL4029206 | 0.85 | HDAC2 (0.76) | HTTKMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL29060766 | 0.85 | HDAC2 (0.76) | HTTKMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL28440927 | 0.83 | HDAC2 (0.73) | HTTKMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL28440928 | 0.83 | HDAC2 (0.73) | HTTKMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL1949533 | 0.82 | HTT (0.70) | HTTKMT2AHDAC3HDAC4HDAC1 | |
| SCHEMBL1949534 | 0.82 | HTT (0.70) | HTTKMT2AHDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL5427447 | 0.81 | HTT (0.68) | HTTKMT2AHDAC3HDAC4HDAC1 |
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-107663178-A | A kind of cinnamoyl thiourea of pyrimidine substitution and its application | 青岛科技大学 | 2018-02-06 | — | — | CN | claimed |
| CN-107663178-A | A kind of cinnamoyl thiourea of pyrimidine substitution and its application | 青岛科技大学 | 2018-02-06 | — | — | CN | disclosed |
| CN-107663178-A | A kind of cinnamoyl thiourea of pyrimidine substitution and its application | 青岛科技大学 | 2018-02-06 | — | — | CN | disclosed |
| CN-107663178-A | A kind of cinnamoyl thiourea of pyrimidine substitution and its application | 青岛科技大学 | 2018-02-06 | — | — | CN | disclosed |