Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.62 |
| ▸ | CA2 | P00918 | 8/20 | 0.62 |
| ▸ | CA9 | Q16790 | 5/20 | 0.62 |
| ▸ | CA12 | O43570 | 4/20 | 0.62 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.62 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.62 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.62 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.62 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.62 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.62 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.62 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.62 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.62 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7406463 | 0.93 | HDAC3 (0.69) | CA1CA2CA9CA12HDAC3 | |
| SCHEMBL7565259 | 0.83 | CA1 (0.73) | CA1CA2CA9CA12MAPT | |
| SCHEMBL5316738 | 0.80 | MEN1 (0.60) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL3642480 | 0.80 | CA2 (0.59) | CA1CA2CA9CA12GSK3B | |
| SCHEMBL27214027 | 0.79 | CA12 (0.65) | CA1CA2CA9CA12HDAC3 | |
| SCHEMBL11675449 | 0.79 | GSK3B (0.57) | CA1CA2CA9CA12HDAC3 | |
| SCHEMBL4573407 | 0.78 | HPGD (0.74) | CA1CA2CA9CA12HDAC3 | |
| SCHEMBL6318007 | 0.78 | HPGD (0.74) | CA1CA2CA9CA12HDAC3 | |
| SCHEMBL28170795 | 0.77 | MAPT (0.79) | CA1CA2CA9CA12HDAC3 | |
| SCHEMBL4810207 | 0.76 | HDAC3 (1.00) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009146013-A1 | MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS | GEORGETOWN UNIVERSITY (US) | 2009-12-03 | — | — | WO | disclosed |