Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.57 |
| ▸ | MMP13 | P45452 | 2/20 | 0.57 |
| ▸ | KDM1A | O60341 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | ACACB | O00763 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | LOX | P28300 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL19634809 | 0.89 | CYP3A4 (0.55) | ROCK2MMP13KDM1AHPGDLMNA | |
| SCHEMBL19634811 | 0.89 | ROCK2 (0.50) | ROCK2MMP13KDM1AHPGDACACB | |
| SCHEMBL19634574 | 0.87 | KDM1A (0.55) | ROCK2MMP13KDM1AHPGDACACB | |
| SCHEMBL19634713 | 0.86 | ROCK2 (0.49) | ROCK2MMP13KDM1AHPGDLMNA | |
| SCHEMBL16380331 | 0.86 | ROCK2 (0.53) | ROCK2MMP13HPGDLMNACYP3A4 | |
| SCHEMBL21015342 | 0.85 | ROCK2 (0.54) | ROCK2MMP13KDM1AHPGDLMNA | |
| SCHEMBL23471233 | 0.84 | MRGPRX4 (0.60) | ROCK2MMP13KDM1AHPGDACACB | |
| SCHEMBL2056391 | 0.84 | HPGD (0.57) | ROCK2KDM1AHPGDACACBMRGPRX4 | |
| SCHEMBL8284791 | 0.84 | HPGD (0.57) | ROCK2MMP13KDM1AHPGDACACB | |
| SCHEMBL21015600 | 0.84 | MRGPRX4 (0.54) | ROCK2MMP13KDM1AHPGDMRGPRX4 |
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 |