Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 2/20 | 0.51 |
| ▸ | MMP8 | P22894 | 2/20 | 0.51 |
| ▸ | MMP12 | P39900 | 2/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.46 |
| ▸ | CTSG | P08311 | 1/20 | 0.46 |
| ▸ | CMA1 | P23946 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30687362 | 1.00 | HDAC2 (0.51) | HDAC2HDAC8HDAC6MMP2MMP8 | |
| SCHEMBL16908163 | 0.91 | SMN1; SMN2 (0.56) | HDAC2HDAC8HDAC6HDAC1ITGB3 | |
| SCHEMBL6240137 | 0.91 | MMP2 (0.54) | HDAC2HDAC8HDAC6MMP2MMP8 | |
| SCHEMBL28680572 | 0.91 | ALDH1A1 (0.58) | HDAC2HDAC8HDAC6MAPTGAA | |
| SCHEMBL5272643 | 0.91 | ALDH1A1 (0.58) | HDAC2HDAC8HDAC6MAPTGAA | |
| SCHEMBL29734985 | 0.87 | MMP2 (0.59) | HDAC2HDAC8HDAC6MMP2MMP8 | |
| SCHEMBL24533878 | 0.86 | MMP2 (0.58) | HDAC2HDAC8HDAC6MMP2MMP8 | |
| SCHEMBL16359253 | 0.86 | HDAC2 (0.53) | HDAC2HDAC8HDAC6MMP2MMP8 | |
| SCHEMBL24533867 | 0.86 | MMP2 (0.58) | HDAC2HDAC8HDAC6MMP2MMP8 | |
| SCHEMBL20964483 | 0.86 | CALCRL (0.53) | ITGB3ITGA2B |
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-2015106200-A2 | DIPEPTIDES AS INHIBITORS OF HUMAN IMMUNOPROTEASOMES | CORNELL UNIVERSITY (US) | 2015-07-16 | — | — | WO | disclosed |