Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21103001 | 0.87 | ALDH1A1 (0.45) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL21101973 | 0.81 | HDAC1 (0.43) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL21102147 | 0.81 | APEX1 (0.60) | ALDH1A1APEX1MEN1KMT2ACYP1A2 | |
| SCHEMBL415592 | 0.80 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1 | |
| SCHEMBL1932191 | 0.78 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1 | |
| SCHEMBL4027432 | 0.78 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1 | |
| SCHEMBL4271584 | 0.78 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1 | |
| SCHEMBL11603398 | 0.78 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1 | |
| SCHEMBL6191672 | 0.78 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1 | |
| SCHEMBL4997200 | 0.75 | ALDH1A1 (0.62) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2046736-B1 | ARYLSULFANYL COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS | EMISPHERE TECH INC (US) | 2019-06-12 | — | — | EP | disclosed |