Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL21822864 | 0.87 | TSHR (0.47) | HPGDTSHRALDH1A1KDM4ECYP3A4 | |
| SCHEMBL22090561 | 0.87 | HPGD (0.37) | HPGDTSHRALDH1A1KDM4ECYP3A4 | |
| SCHEMBL30659990 | 0.87 | HPGD (0.37) | HPGDTSHRALDH1A1KDM4ECYP3A4 | |
| SCHEMBL21822411 | 0.86 | TSHR (0.44) | HPGDTSHRALDH1A1KDM4ECYP3A4 | |
| SCHEMBL22090713 | 0.85 | HPGD (0.41) | HPGDALDH1A1KDM4ECYP3A4MAPT | |
| SCHEMBL21822674 | 0.85 | PTGDR2 (0.45) | HPGDTSHRALDH1A1KDM4ECYP3A4 | |
| SCHEMBL22102170 | 0.83 | HPGD (0.39) | HPGDALDH1A1KDM4ECYP3A4MAPT | |
| SCHEMBL22090631 | 0.82 | MEN1 (0.40) | HPGDALDH1A1KDM4ECYP3A4MAPT | |
| SCHEMBL22090549 | 0.82 | MEN1 (0.42) | HPGDALDH1A1KDM4ECYP3A4MAPT | |
| SCHEMBL21822318 | 0.82 | HPGD (0.40) | HPGDTSHRALDH1A1KDM4ECYP3A4 |
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-2020120528-A1 | N-CONTAINING CHROMEN-4-ONE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2020-06-18 | — | — | WO | disclosed |