Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.52 |
| ▸ | MMP13 | P45452 | 2/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
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 | 0.89 | ROCK2 (0.57) | CYP3A4ROCK2MMP13CHRM2ROCK1 | |
| SCHEMBL19634713 | 0.89 | ROCK2 (0.49) | CYP3A4MEN1CYP1A2KMT2AROCK2 | |
| SCHEMBL21015340 | 0.88 | CYP3A4 (0.51) | CYP3A4MEN1CYP1A2KMT2AROCK2 | |
| SCHEMBL19634811 | 0.87 | ROCK2 (0.50) | CYP3A4ROCK2MMP13CHRM2ROCK1 | |
| SCHEMBL19634711 | 0.85 | MEN1 (0.56) | CYP3A4MEN1CYP1A2KMT2AROCK2 | |
| SCHEMBL19634403 | 0.83 | HDAC1 (0.60) | CYP3A4MEN1CYP1A2KMT2AHDAC2 | |
| SCHEMBL16380331 | 0.83 | ROCK2 (0.53) | CYP3A4ROCK2MMP13ROCK1CYP2C9 | |
| SCHEMBL19634802 | 0.80 | PARP1 (0.53) | ROCK2MMP13ROCK1HDAC2HDAC8 | |
| SCHEMBL19634801 | 0.79 | SLC7A5 (0.58) | KMT2AROCK2MMP13ROCK1HDAC2 | |
| SCHEMBL8331737 | 0.78 | MEN1 (0.68) | CYP3A4MEN1CYP1A2KMT2ACYP2C9 |
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 |