Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | SUV39H1 | O43463 | 1/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | NAMPT | P43490 | 2/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2464026 | 0.97 | ALDH1A1 (0.70) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL23828895 | 0.87 | ALDH1A1 (0.64) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL19634715 | 0.87 | PARP1 (0.58) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL19634691 | 0.86 | HASPIN (0.62) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL19634690 | 0.86 | ALDH1A1 (0.52) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL8404675 | 0.86 | CD274 (0.71) | CYP1A2CYP2D6ALDH1A1POLBHPGD | |
| SCHEMBL2252131 | 0.86 | ALDH1A1 (0.70) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL8432036 | 0.86 | NPSR1 (0.70) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL29605727 | 0.85 | CYP1A2 (0.74) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 | |
| SCHEMBL3401326 | 0.85 | CYP1A2 (0.74) | CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017200984-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2017-11-23 | — | — | WO | disclosed |