Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XPO1 | O14980 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.31 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18872731 | 0.86 | HCAR3 (0.41) | XPO1CNR1POLBTHRBRECQL | |
| SCHEMBL20077101 | 0.78 | CNR1 (0.40) | XPO1CNR1PIK3C3ALDH1A1KDM4E | |
| SCHEMBL20077564 | 0.74 | POLB (0.43) | POLBTHRBRECQLTDP1L3MBTL1 | |
| SCHEMBL8828641 | 0.71 | CNR1 (0.43) | CNR1PIK3C3ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL23838116 | 0.70 | HCAR3 (0.44) | CNR1ALDH1A1KDM4ESMN1; SMN2CTSK | |
| SCHEMBL22625870 | 0.70 | HCAR3 (0.42) | PIK3C3ALDH1A1KDM4ESMN1; SMN2HPGD | |
| SCHEMBL20072251 | 0.70 | HCAR3 (0.51) | CNR1POLBTHRBRECQLTDP1 | |
| SCHEMBL18838583 | 0.70 | CNR1 (0.43) | CNR1L3MBTL1PIK3C3ALDH1A1KDM4E | |
| SCHEMBL5425587 | 0.70 | EGFR (0.47) | CNR1POLBPIK3C3ALDH1A1KDM4E | |
| SCHEMBL20060891 | 0.69 | THRB (0.35) | CNR1POLBTHRBL3MBTL1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018068296-A1 | PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR β AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |
| WO-2018071315-A2 | PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |