Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GJB2 | P29033 | 1/20 | 0.38 |
| ▸ | GJA1 | P17302 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NT5E | P21589 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5827960 | 0.74 | GJB2 (0.41) | GJB2GJA1 | |
| SCHEMBL17472165 | 0.72 | CYP2D6 (0.33) | MEN1KMT2ACYP2C9CYP2D6SMN1; SMN2 | |
| SCHEMBL6656364 | 0.71 | GJB2 (0.39) | GJB2GJA1HDAC4HDAC6CA2 | |
| SCHEMBL14416241 | 0.71 | NT5E (0.45) | GJB2NT5ECYP2D6MAPK1ALDH1A1 | |
| SCHEMBL14414835 | 0.70 | LMNA (0.47) | KMT2ATP53NT5ELMNA | |
| SCHEMBL14414832 | 0.70 | LMNA (0.47) | KMT2ATP53NT5ELMNA | |
| SCHEMBL18499303 | 0.69 | LMNA (0.47) | KMT2ANT5ECYP2D6LMNAMAPK1 | |
| SCHEMBL22073057 | 0.69 | NT5E (0.49) | MEN1KMT2ACYP2C9CYP3A4TP53 | |
| SCHEMBL23867774 | 0.68 | LMNA (0.56) | KMT2ANT5ECYP2D6LMNAMAPK1 | |
| SCHEMBL16409716 | 0.68 | CYP2D6 (0.33) | CYP2D6LMNACA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3512860-B1 | NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT | LCB PHARMA INC (CA) | 2020-11-25 | — | — | EP | disclosed |