Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.43 |
| ▸ | VNN1 | O95497 | 2/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | SCD | O00767 | 1/20 | 0.40 |
| ▸ | YTHDC1 | Q96MU7 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7016174 | 0.82 | VNN1 (0.41) | HDAC6P2RX7HDAC1VNN1HDAC4 | |
| SCHEMBL7012720 | 0.82 | VNN1 (0.41) | HDAC6P2RX7HDAC1VNN1HDAC4 | |
| SCHEMBL7012213 | 0.81 | LMNA (0.48) | HDAC6P2RX7HDAC1VNN1HDAC4 | |
| SCHEMBL7011737 | 0.81 | LMNA (0.48) | HDAC6P2RX7HDAC1VNN1HDAC4 | |
| SCHEMBL7011613 | 0.80 | MAPK1 (0.43) | HDAC6P2RX7HDAC1VNN1HDAC4 | |
| SCHEMBL7013123 | 0.77 | HDAC1 (0.46) | HDAC6HDAC1VNN1HDAC4MAPK1 | |
| SCHEMBL23462025 | 0.77 | ADORA2A (0.48) | LMNAYTHDC1SMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL29888748 | 0.77 | ADORA2A (0.48) | LMNAYTHDC1SMN1; SMN2CYP11B1CYP11B2 | |
| SCHEMBL7009400 | 0.77 | HDAC6 (0.41) | HDAC6P2RX7HDAC1VNN1HDAC4 | |
| SCHEMBL7012335 | 0.73 | LMNA (0.45) | HDAC6HDAC1VNN1HDAC4MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0733633-B1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-05-28 | — | — | EP | disclosed |
| EP-0733633-A1 | Heterocyclic compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-25 | — | — | EP | disclosed |