Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 7/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL19634441 | 0.88 | HDAC1 (0.64) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL21016154 | 0.86 | HDAC6 (0.56) | HDAC1HDAC6HDAC3HDAC8ALDH1A1 | |
| SCHEMBL19634811 | 0.85 | ROCK2 (0.50) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL19634403 | 0.85 | HDAC1 (0.60) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL19634424 | 0.84 | LOXL2 (0.52) | HDAC6HDAC3ALDH1A1KMT2AHPGD | |
| SCHEMBL23471017 | 0.80 | KMT2A (0.47) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL23471020 | 0.76 | KMT2A (0.43) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL19634415 | 0.76 | HDAC1 (0.68) | HDAC1HDAC6HDAC2HDAC3HDAC8 | |
| SCHEMBL19634455 | 0.73 | HDAC6 (0.59) | HDAC1HDAC6HDAC3HDAC8ALDH1A1 | |
| SCHEMBL21015345 | 0.73 | ROCK2 (0.47) | HDAC6ALDH1A1RAB9AMAPTHPGD |
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 |