Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | POLB | P06746 | 2/20 | 0.65 |
| ▸ | NAMPT | P43490 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL19634439 | 0.99 | NPSR1 (0.67) | NPSR1CYP1A2CYP2D6CYP2C9POLB | |
| SCHEMBL19634416 | 0.90 | HDAC6 (0.69) | NPSR1CYP1A2CYP2D6CYP2C9POLB | |
| SCHEMBL19634426 | 0.87 | CD274 (0.67) | POLBNAMPTALDH1A1HPGDKDM4E | |
| SCHEMBL23471332 | 0.87 | HDAC6 (0.52) | NPSR1CYP1A2CYP2D6CYP2C9POLB | |
| SCHEMBL23471160 | 0.87 | HASPIN (0.55) | NPSR1CYP1A2CYP2D6CYP2C9POLB | |
| SCHEMBL21015947 | 0.86 | NPSR1 (0.61) | NPSR1CYP1A2CYP2D6CYP2C9POLB | |
| SCHEMBL19634412 | 0.85 | HDAC6 (0.53) | NPSR1CYP1A2CYP2D6CYP2C9POLB | |
| SCHEMBL8432036 | 0.85 | NPSR1 (0.70) | NPSR1CYP1A2CYP2D6CYP2C9POLB | |
| SCHEMBL21015946 | 0.85 | NPSR1 (0.62) | NPSR1CYP1A2CYP2D6CYP2C9POLB | |
| SCHEMBL10264587 | 0.83 | NPSR1 (0.72) | NPSR1CYP1A2CYP2D6CYP2C9POLB |
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 |