Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 2/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19939674 | 0.86 | HSD17B3 (0.43) | HSD17B3ADRA2ACYP2D6ADRA2BADRA2C | |
| SCHEMBL20014487 | 0.81 | AURKA (0.34) | HSD17B3ADRA2ACYP2D6ADRA2BADRA2C | |
| SCHEMBL20015243 | 0.79 | DRD2 (0.34) | HSD17B3HPGDRYR2MEN1ALOX15 | |
| SCHEMBL8860333 | 0.79 | HSD17B3 (0.47) | HSD17B3ADRA2ACYP2D6ADRA2BADRA2C | |
| SCHEMBL20014517 | 0.79 | MEN1 (0.43) | HSD17B3ADRA2ACYP2D6ADRA2BADRA2C | |
| SCHEMBL20014752 | 0.79 | TRPA1 (0.37) | HSD17B3HPGDRYR2MEN1ALOX15 | |
| SCHEMBL20014606 | 0.77 | HTR2A (0.38) | HPGDL3MBTL1RYR2 | |
| SCHEMBL20829466 | 0.76 | PRCP (0.41) | HPGDMEN1ALOX15KMT2ATDP1 | |
| SCHEMBL20123771 | 0.75 | TEAD1 (0.33) | HSD17B3HPGDL3MBTL1RYR2MEN1 | |
| SCHEMBL20123457 | 0.75 | DRD2 (0.44) | — |
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-2620436-B1 | SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG | SHIONOGI & CO (JP) | 2018-05-09 | — | — | EP | disclosed |
| EP-2444400-B1 | SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE | SHIONOGI & CO (JP) | 2018-03-28 | — | — | EP | disclosed |