Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4890477 | 0.82 | SIGMAR1 (0.48) | SIGMAR1MAOAMAOBHTR2AIDO1 | |
| SCHEMBL9399999 | 0.78 | HDAC3 (0.47) | SIGMAR1MAOAMAOBHTR2AHDAC3 | |
| SCHEMBL6200429 | 0.78 | SIGMAR1 (0.45) | SIGMAR1MAOAMAOBHTR2AIDO1 | |
| SCHEMBL8727659 | 0.78 | SIGMAR1 (0.45) | SIGMAR1MAOAMAOBHTR2AIDO1 | |
| SCHEMBL2243799 | 0.78 | HDAC3 (0.47) | SIGMAR1MAOAMAOBHTR2AHDAC3 | |
| SCHEMBL6200426 | 0.78 | SIGMAR1 (0.45) | SIGMAR1MAOAMAOBHTR2AIDO1 | |
| SCHEMBL4785068 | 0.78 | MAOA (0.50) | SIGMAR1MAOAMAOBHTR2AIDO1 | |
| SCHEMBL1225568 | 0.78 | SIGMAR1 (0.50) | SIGMAR1MAOAHDAC3MAPK1ADRA1A | |
| SCHEMBL6014620 | 0.78 | MAOA (0.50) | SIGMAR1MAOAMAOBHTR2AIDO1 | |
| SCHEMBL8727657 | 0.78 | SIGMAR1 (0.45) | SIGMAR1MAOAMAOBHTR2AIDO1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117510303-A | Synthesis method of monofluoro 1, 4-eneyne compound | 常州大学 | 2024-02-06 | — | — | CN | disclosed |