Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | ALB | P02768 | 1/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10169348 | 0.83 | ADORA1 (0.56) | NR1I2ALBPDE4DADORA1ADORA3 | |
| SCHEMBL23416665 | 0.80 | NR1I2 (0.54) | NR1I2ALBPDE4DADORA1ADORA3 | |
| SCHEMBL18541836 | 0.80 | NR1I2 (0.49) | NR1I2ALBPDE4DADORA1ADORA3 | |
| SCHEMBL13751696 | 0.80 | CDK1 (0.58) | NR1I2ALBPDE4DABCB1POLB | |
| SCHEMBL10137840 | 0.80 | CDK2 (0.60) | NR1I2ALBPDE4DCDK2CDK9 | |
| SCHEMBL11303595 | 0.80 | NR1I2 (0.51) | NR1I2ALBPDE4DADORA1ADORA3 | |
| SCHEMBL31058754 | 0.77 | CDK2 (0.55) | NR1I2ALBPDE4DADORA1ADORA3 | |
| SCHEMBL24499765 | 0.76 | CDK1 (0.56) | ADORA1ADORA2AADORA2BCDK2 | |
| SCHEMBL26795536 | 0.76 | NR1I2 (0.50) | NR1I2ALBPDE4DADORA1ADORA3 | |
| SCHEMBL13057359 | 0.75 | CDK2 (0.61) | ADORA1ADORA3ADORA2AADORA2BCYP1A2 |
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-2018028841-A1 | SOLID PHARMACEUTICAL COMPOSITION OF ABACAVIR, LAMIVUDINE, AND EFAVIRENZ | SANDOZ AG (CH) | 2018-02-15 | — | — | WO | disclosed |