Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEP1B | Q16820 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21015487 | 0.90 | NR1H4 (0.43) | NR1H4HDAC6RAB9AALDH1A1POLB | |
| SCHEMBL23471265 | 0.89 | NR1H4 (0.42) | NR1H4HDAC1HDAC6RAB9AALDH1A1 | |
| SCHEMBL23471128 | 0.85 | ALDH1A1 (0.49) | NR1H4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL23470988 | 0.84 | HDAC3 (0.46) | NR1H4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL23471353 | 0.82 | NR1H4 (0.49) | NR1H4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL23470997 | 0.81 | HDAC3 (0.44) | NR1H4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL19634729 | 0.80 | HDAC3 (0.47) | NR1H4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL23470986 | 0.78 | SPR (0.50) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL23471264 | 0.78 | HDAC3 (0.48) | NR1H4HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL19634730 | 0.78 | MMP13 (0.47) | NR1H4HDAC3HDAC4HDAC1HDAC7 |
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 |