Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | USP9X | Q93008 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10288594 | 0.89 | ALDH1A1 (0.36) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL10298720 | 0.86 | PIK3CA (0.46) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL10288574 | 0.86 | HPGD (0.38) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL10288409 | 0.84 | ALDH1A1 (0.37) | ALDH1A1PIK3CAHPGDKDM4EHSD17B10 | |
| SCHEMBL10288191 | 0.83 | PIK3CA (0.35) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL10288591 | 0.77 | PIK3CA (0.36) | CYP3A4ALDH1A1PIK3CAHPGDKDM4E | |
| SCHEMBL622922 | 0.76 | PIK3CA (0.47) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL10298686 | 0.75 | HPGD (0.36) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL10288569 | 0.75 | PIK3CA (0.46) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 | |
| SCHEMBL623045 | 0.74 | PIK3CA (0.41) | SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6 |
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-2012021696-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |