Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.53 |
| ▸ | AXL | P30530 | 1/20 | 0.53 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.53 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.53 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 5/20 | 0.51 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11996116 | 0.96 | CYP2A6 (0.58) | CYP2A6ALDH1A1CYP1A2CYP3A4MEN1 | |
| SCHEMBL11996114 | 0.91 | CYP19A1 (0.54) | CYP2A6ALDH1A1CYP1A2CYP3A4MEN1 | |
| SCHEMBL2737287 | 0.91 | CYP2A6 (0.56) | CYP2A6ALDH1A1CYP1A2CYP3A4MEN1 | |
| SCHEMBL11996106 | 0.90 | CYP2A6 (0.50) | CYP2A6ALDH1A1CYP1A2CYP3A4MEN1 | |
| SCHEMBL24726636 | 0.85 | CTSA (0.51) | CYP2A6ALDH1A1CYP1A2CYP3A4MEN1 | |
| SCHEMBL472057 | 0.84 | CYP2A6 (0.75) | CYP2A6ALDH1A1CYP1A2CYP3A4MEN1 | |
| SCHEMBL12129596 | 0.84 | CYP2A6 (0.75) | CYP2A6ALDH1A1CYP1A2CYP3A4MEN1 | |
| SCHEMBL669546 | 0.84 | CYP2A6 (0.75) | CYP2A6ALDH1A1CYP1A2CYP3A4MEN1 | |
| SCHEMBL22428556 | 0.84 | CYP2A6 (0.75) | CYP2A6ALDH1A1CYP1A2CYP3A4MEN1 | |
| SCHEMBL12108690 | 0.84 | CYP2A6 (0.75) | CYP2A6ALDH1A1CYP1A2CYP3A4MEN1 |
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-3230404-B1 | AMBIPOLAR HOST MATERIALS AND THEIR USE | CYNORA GMBH (DE) | 2020-02-05 | — | — | EP | disclosed |
| WO-2016091887-A2 | AMBIPOLAR HOST MATERIALS AND USE THEREOF | CYNORA GMBH (DE) | 2016-06-16 | — | — | WO | disclosed |