Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 7/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.54 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9969969 | 0.89 | TSHR (0.64) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL16640624 | 0.87 | MAPT (0.60) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL19634571 | 0.86 | PLK1 (0.55) | PLK1CYP3A4TSHRHPGDSMN1; SMN2 | |
| SCHEMBL20267404 | 0.86 | ALDH1A1 (0.66) | PLK1CYP3A4TSHRHPGDSMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL27753060 | 0.84 | TSHR (0.55) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL9928660 | 0.83 | CYP3A4 (0.66) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL14134604 | 0.82 | HPGD (0.57) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL13258383 | 0.81 | TSHR (0.56) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL11941322 | 0.81 | TSHR (0.56) | ABCB11CYP3A4ADRA2BOPRD1SCN5A | |
| SCHEMBL19400961 | 0.81 | ALDH1A1 (0.70) | ABCB11CYP3A4ADRA2BOPRD1SCN5A |
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 |