Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Octane SCHEMBL1164389 | 0.96 | HDAC1 (0.39) | HDAC1HDAC11HDAC8HDAC6ALDH1A1 | |
| SCHEMBL275321 | 0.92 | HDAC3 (0.36) | HDAC1HDAC11HDAC8HDAC6ALDH1A1 | |
| SCHEMBL5915087 | 0.92 | HDAC3 (0.36) | HDAC1HDAC11HDAC8HDAC6ALDH1A1 | |
| SCHEMBL14889184 | 0.91 | ALDH1A1 (0.36) | HDAC1HDAC11HDAC8HDAC6ALDH1A1 | |
| SCHEMBL15375293 | 0.88 | HDAC1 (0.33) | HDAC1HDAC11HDAC8HDAC6TSHR | |
| Thiophene SCHEMBL2762416 | 0.86 | HDAC3 (0.33) | HDAC1HDAC11HDAC8HDAC6ALDH1A1 | |
| Acetaldehyde SCHEMBL591968 | 0.84 | HTT (0.35) | HDAC1HDAC11HDAC8HDAC6ALDH1A1 | |
| SCHEMBL15530135 | 0.83 | TP53 (0.34) | ALDH1A1GAATP53MEN1KMT2A | |
| Ethylene Glycol SCHEMBL28574191 | 0.82 | HDAC3 (0.36) | HDAC1HDAC11HDAC8HDAC6ALDH1A1 | |
| SCHEMBL28716563 | 0.77 | CYP1A2 (0.42) | MAPTMEN1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013167585-A2 | RECYCLING OF ORGANOTIN COMPOUNDS | UNIVERSITEIT ANTWERPEN (BE) | 2013-11-14 | — | — | WO | disclosed |
| EP-2662379-A1 | Recycling of organotin compounds | Universiteit Antwerpen (BE) | 2013-11-13 | — | — | EP | disclosed |