Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | PRCP | P42785 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30101825 | 1.00 | HDAC3 (0.40) | HDAC3HDAC1HDAC2HDAC8NCOR2 | |
| SCHEMBL30101766 | 0.86 | TRPM8 (0.43) | HDAC3HDAC1HDAC8NCOR2MEN1 | |
| SCHEMBL28630559 | 0.86 | TRPM8 (0.43) | HDAC3HDAC1HDAC8NCOR2MEN1 | |
| SCHEMBL28621530 | 0.86 | OPRM1 (0.41) | PRCPDRD1LMNAMAPTESR1 | |
| SCHEMBL30101955 | 0.86 | OPRM1 (0.41) | PRCPDRD1LMNAMAPTESR1 | |
| SCHEMBL6671821 | 0.86 | ESR1 (0.43) | SIGMAR1PRCPESR1ESR2GAA | |
| SCHEMBL30101863 | 0.86 | ESR1 (0.43) | SIGMAR1PRCPESR1ESR2GAA | |
| SCHEMBL28621921 | 0.83 | PRCP (0.37) | PRCPDRD1LMNAMEN1KMT2A | |
| SCHEMBL28622036 | 0.83 | MEN1 (0.42) | SIGMAR1PRCPDRD2DRD1MEN1 | |
| SCHEMBL30101771 | 0.83 | PRCP (0.37) | PRCPDRD1LMNAMEN1KMT2A |
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-113264881-B | Synthetic method of alpha-cyanide | 南昌大学 | 2022-12-02 | — | — | CN | disclosed |
| CN-113264881-A | Synthetic method of alpha-cyanide | 南昌大学 | 2021-08-17 | — | — | CN | disclosed |