Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 7/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 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 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20267404 | 0.86 | ALDH1A1 (0.66) | PLK1TSHRSMN1; SMN2HPGDHTT | |
| SCHEMBL19634288 | 0.86 | PLK1 (0.55) | PLK1TSHRSMN1; SMN2HPGDHTT | |
| SCHEMBL26378 | 0.84 | TDP1 (0.56) | TSHRSMN1; SMN2ESR1ALDH1A1CHRM1 | |
| SCHEMBL1962951 | 0.83 | MAPT (0.58) | TSHRSMN1; SMN2HPGDESR1ALDH1A1 | |
| Acetone SCHEMBL28904622 | 0.83 | TSHR (0.55) | TSHRSMN1; SMN2HPGDESR1ALDH1A1 | |
| Lithium SCHEMBL30805733 | 0.82 | TDP1 (0.54) | TSHRSMN1; SMN2ESR1ALDH1A1CHRM1 | |
| SCHEMBL13292517 | 0.82 | TDP1 (0.54) | TSHRSMN1; SMN2ESR1ALDH1A1CHRM1 | |
| SCHEMBL19235060 | 0.82 | TDP1 (0.54) | TSHRSMN1; SMN2ESR1ALDH1A1CHRM1 | |
| SCHEMBL26453328 | 0.82 | TDP1 (0.54) | TSHRSMN1; SMN2ESR1ALDH1A1CHRM1 | |
| Ethylene Glycol SCHEMBL28198373 | 0.82 | TDP1 (0.54) | TSHRSMN1; SMN2ESR1ALDH1A1CHRM1 |
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 |