Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 3/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2561276 | 0.80 | ALDH1A3 (0.41) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL2561890 | 0.80 | HSP90AA1 (0.36) | CYP2A6ALDH1A1HSP90AA1HSP90AB1CYP2C9 | |
| SCHEMBL2560536 | 0.79 | ALDH1A3 (0.40) | ALDH1A1ALDH1A3ALDH3A1HSP90AA1HSP90AB1 | |
| SCHEMBL29952071 | 0.75 | SLC6A4 (0.38) | CYP2A6ALDH1A1ALDH1A3HSP90AA1HSP90AB1 | |
| SCHEMBL29953414 | 0.74 | GAA (0.50) | CYP2A6ALDH1A1HSP90AA1HSP90AB1CYP2C9 | |
| SCHEMBL29958389 | 0.71 | RAB9A (0.47) | CYP2A6ALDH1A1MAOAMAOBMEN1 | |
| SCHEMBL13645995 | 0.70 | CYP2A6 (0.64) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL2514420 | 0.70 | ALDH1A1 (0.65) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL4049989 | 0.69 | CYP2A6 (0.52) | CYP2A6CYP2A13ALDH1A1ALDH1A3ALDH3A1 | |
| SCHEMBL29953784 | 0.69 | PYCR1 (0.35) | ALDH1A1HSP90AA1HSP90AB1CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |