Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.49 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL21015877 | 0.89 | ROCK2 (0.47) | LMNAROCK2TMEM97SIGMAR1NR1H4 | |
| SCHEMBL21015872 | 0.88 | MRGPRX4 (0.51) | ALDH1A1LMNAMAPK1ROCK2TMEM97 | |
| SCHEMBL23471351 | 0.86 | ALDH1A1 (0.55) | TDP1ALDH1A1LMNASLC22A2SLC22A1 | |
| SCHEMBL21015209 | 0.85 | HDAC6 (0.62) | TDP1ALDH1A1LMNASLC22A2SLC22A1 | |
| SCHEMBL21015341 | 0.84 | NR1H4 (0.52) | ALDH1A1LMNAROCK2NR1H4POLB | |
| SCHEMBL21015342 | 0.81 | ROCK2 (0.54) | LMNAROCK2NR1H4CYP3A4SMN1; SMN2 | |
| SCHEMBL19634734 | 0.81 | ALDH1A1 (0.58) | TDP1ALDH1A1LMNASLC22A2SLC22A1 | |
| SCHEMBL21015963 | 0.81 | NR1H4 (0.47) | ALDH1A1LMNAROCK2NR1H4BCHE | |
| SCHEMBL19634804 | 0.80 | NR1H4 (0.48) | ALDH1A1LMNAROCK2NR1H4CYP3A4 | |
| SCHEMBL21015870 | 0.79 | HDAC6 (0.52) | ROCK2KMT2ANR1H4SMN1; SMN2MMP13 |
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 |