Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.53 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL22754705 | 0.88 | PARP1 (0.54) | PARP1MRGPRX4ROCK2MMP13PKM | |
| SCHEMBL23471351 | 0.87 | ALDH1A1 (0.55) | ROCK2MMP13ALDH1A1MAPK1LMNA | |
| SCHEMBL21015872 | 0.86 | MRGPRX4 (0.51) | PARP1MRGPRX4ROCK2MMP13PKM | |
| SCHEMBL12333454 | 0.85 | USP2 (0.55) | PARP1MRGPRX4PKMALDH1A1MAPK1 | |
| SCHEMBL16380331 | 0.85 | ROCK2 (0.53) | ROCK2MMP13ALDH1A1ROCK1LMNA | |
| SCHEMBL5109753 | 0.83 | LOXL2 (0.54) | PARP1MRGPRX4PKMALDH1A1MAPK1 | |
| SCHEMBL23470991 | 0.83 | HDAC1 (0.62) | ALDH1A1HDAC3HDAC4HDAC1HDAC2 | |
| SCHEMBL23889139 | 0.82 | SMN1; SMN2 (0.54) | PARP1MRGPRX4ROCK2PKMALDH1A1 | |
| SCHEMBL19634816 | 0.82 | ROCK2 (0.57) | MRGPRX4ROCK2MMP13ROCK1LMNA | |
| SCHEMBL19634746 | 0.81 | MMP13 (0.49) | ROCK2MMP13ALDH1A1ROCK1LMNA |
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 |