Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 6/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5010747 | 0.73 | ALDH1A1 (0.41) | ALDH1A1POLBTSHRMEN1KMT2A | |
| SCHEMBL3631443 | 0.71 | ALDH1A1 (0.44) | ALDH1A1POLBTSHRMEN1KMT2A | |
| SCHEMBL11456775 | 0.69 | ALDH1A1 (0.46) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL29128539 | 0.69 | ALDH1A1 (0.31) | ALDH1A1POLB | |
| SCHEMBL22289284 | 0.68 | ALDH1A1 (0.37) | ALDH1A1POLBTSHRMEN1KMT2A | |
| SCHEMBL27094467 | 0.68 | ALDH1A1 (0.41) | ALDH1A1POLBTSHRMEN1KMT2A | |
| SCHEMBL28211727 | 0.67 | — | — | |
| SCHEMBL2492512 | 0.65 | — | — | |
| SCHEMBL18886969 | 0.65 | — | — | |
| SCHEMBL12331158 | 0.65 | — | — |
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-3645516-A1 | HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | Janssen Pharmaceutica NV (BE) | 2020-05-06 | — | — | EP | disclosed |
| WO-2019001420-A1 | HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | JANSSEN PHARMACEUTICA NV (BE) | 2019-01-03 | — | — | WO | disclosed |