Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL19634461 | 0.89 | HDAC6 (0.55) | HDAC6HDAC2HDAC8ALDH1A1LMNA | |
| SCHEMBL19634416 | 0.88 | HDAC6 (0.69) | HDAC6HDAC2HDAC8ALDH1A1MAPT | |
| SCHEMBL23471004 | 0.86 | PARP1 (0.48) | MAPTPOLBMEN1KMT2ACYP2C9 | |
| SCHEMBL19634439 | 0.86 | NPSR1 (0.67) | HDAC6HDAC2HDAC8ALDH1A1POLB | |
| SCHEMBL19634686 | 0.85 | HDAC2 (0.55) | HDAC6HDAC2HDAC8ALDH1A1LMNA | |
| SCHEMBL19634451 | 0.85 | NPSR1 (0.65) | HDAC6HDAC2HDAC8ALDH1A1POLB | |
| SCHEMBL19634402 | 0.83 | KMT2A (0.55) | ALDH1A1LMNAMAPTSMN1; SMN2POLB | |
| SCHEMBL23471160 | 0.83 | HASPIN (0.55) | HDAC6HDAC2HDAC8ALDH1A1MAPT | |
| SCHEMBL23471332 | 0.83 | HDAC6 (0.52) | HDAC6HDAC2HDAC8ALDH1A1MAPT | |
| SCHEMBL19634426 | 0.83 | CD274 (0.67) | ALDH1A1POLBNAMPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3831841-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T Global Inc. (US) | 2021-06-09 | — | — | EP | disclosed |
| WO-2017200984-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2017-11-23 | — | — | WO | disclosed |