Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HASPIN | Q8TF76 | 4/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | SUV39H1 | O43463 | 1/20 | 0.45 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.45 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14853581 | 0.87 | HASPIN (0.53) | HASPINHDAC2HDAC8HDAC6NPSR1 | |
| SCHEMBL23471160 | 0.87 | HASPIN (0.55) | HASPINHDAC2HDAC8HDAC6NPSR1 | |
| SCHEMBL19634405 | 0.86 | NAMPT (0.49) | HDAC2HDAC8HDAC6NPSR1LMNA | |
| SCHEMBL19634685 | 0.86 | CD274 (0.62) | NAMPTKDM4EPOLBALDH1A1 | |
| SCHEMBL15947380 | 0.85 | HASPIN (0.56) | HASPINHDAC2HDAC8HDAC6NPSR1 | |
| SCHEMBL21015347 | 0.84 | HDAC6 (0.55) | HASPINHDAC2HDAC8HDAC6NPSR1 | |
| SCHEMBL22064075 | 0.83 | ALDH1A1 (0.61) | HDAC2HDAC8HDAC6NPSR1L3MBTL1 | |
| SCHEMBL20458250 | 0.83 | HASPIN (0.59) | HASPINHDAC2HDAC8HDAC6NPSR1 | |
| SCHEMBL12015823 | 0.82 | LMNA (0.70) | HDAC2HDAC8HDAC6NPSR1LMNA | |
| SCHEMBL19634691 | 0.80 | HASPIN (0.62) | HASPINHDAC2HDAC8HDAC6NPSR1 |
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-2017200984-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2017-11-23 | — | — | WO | disclosed |