Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 2/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 9/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 3/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18667383 | 0.84 | PTPN11 (0.41) | CYP11B1HDAC1HDAC3GAANAMPT | |
| SCHEMBL18667558 | 0.84 | XDH (0.41) | CYP11B1HDAC1HDAC3NAMPTHDAC6 | |
| SCHEMBL18641409 | 0.84 | CYP11B1 (0.47) | CYP11B1HSD17B1HSD17B2HDAC1HDAC3 | |
| SCHEMBL18667423 | 0.83 | CYP11B1 (0.49) | CYP11B1HDAC1HDAC3NAMPTHDAC6 | |
| SCHEMBL18667617 | 0.80 | — | — | |
| SCHEMBL18667483 | 0.80 | CYP2C19 (0.39) | CYP11B1HDAC1HDAC3GAAKDM4E | |
| SCHEMBL21229063 | 0.80 | NAMPT (0.45) | CYP11B1HSD17B1HSD17B2HDAC1HDAC3 | |
| SCHEMBL18667642 | 0.80 | ALDH1A1 (0.44) | HDAC1GAAMGAMSIMGAM2 | |
| SCHEMBL18667084 | 0.80 | KMT2A (0.47) | HDAC1HDAC3HDAC6HDAC2MAPT | |
| SCHEMBL18666990 | 0.79 | RAB9A (0.37) | HDAC1HDAC3NAMPTHDAC6HDAC2 |
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-2017048950-A1 | HEPATITIS B CORE PROTEIN MODULATORS | ASSEMBLY BIOSCIENCES, INC. (US) | 2017-03-23 | — | — | WO | disclosed |