Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | VNN1 | O95497 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1064735 | 0.86 | CA1 (0.60) | CA1CA2VNN1PKMLOXL2 | |
| SCHEMBL14424237 | 0.84 | CA1 (0.49) | CA1CA2VNN1PKMLOXL2 | |
| SCHEMBL210753 | 0.84 | ALDH1A1 (0.53) | CA1CA2VNN1PKMLOXL2 | |
| SCHEMBL10272801 | 0.80 | CA1 (0.50) | CA1CA2VNN1PKMLOXL2 | |
| SCHEMBL1065202 | 0.77 | HDAC3 (0.74) | HDAC1HDAC3NCOR1HDAC2HDAC8 | |
| SCHEMBL211213 | 0.76 | HDAC1 (0.63) | CA1CA2SYKHDAC1LMNA | |
| SCHEMBL14424239 | 0.75 | CA1 (0.48) | CA1CA2PKMLOXL2ALDH1A1 | |
| SCHEMBL15761765 | 0.75 | CXCR4 (0.66) | CA1CA2PKMNPC1RAB9A | |
| SCHEMBL210701 | 0.75 | CLK4 (0.50) | CA1CA2LOXL2NPC1RAB9A | |
| SCHEMBL1063561 | 0.74 | CA1 (0.56) | CA1CA2LOXL2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-8088805-B2 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2012-01-03 | — | — | US | disclosed |