Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 3/20 | 0.55 |
| ▸ | MMP13 | P45452 | 1/20 | 0.55 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | LOX | P28300 | 2/20 | 0.49 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | ACACB | O00763 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19634816 | 0.87 | ROCK2 (0.57) | KDM1AROCK2HPGDMMP13MRGPRX4 | |
| SCHEMBL23471211 | 0.85 | ROCK2 (0.51) | ROCK2HPGDMMP13MRGPRX4CYP3A4 | |
| SCHEMBL8284791 | 0.85 | HPGD (0.57) | KDM1AROCK2HPGDMMP13MRGPRX4 | |
| SCHEMBL23471233 | 0.85 | MRGPRX4 (0.60) | KDM1AROCK2HPGDMMP13MRGPRX4 | |
| SCHEMBL2056391 | 0.85 | HPGD (0.57) | KDM1AROCK2HPGDMRGPRX4LOX | |
| SCHEMBL21015600 | 0.85 | MRGPRX4 (0.54) | KDM1AROCK2HPGDMMP13MRGPRX4 | |
| SCHEMBL19634293 | 0.84 | LOXL2 (0.65) | KDM1AROCK2HPGDMRGPRX4LOX | |
| SCHEMBL21015342 | 0.84 | ROCK2 (0.54) | KDM1AROCK2HPGDMMP13MRGPRX4 | |
| SCHEMBL18301728 | 0.83 | HPGD (0.58) | KDM1AROCK2HPGDMRGPRX4CHRM2 | |
| SCHEMBL17790216 | 0.82 | PARP1 (0.53) | ROCK2HPGDMMP13MRGPRX4ROCK1 |
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 |