Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FBP1 | P09467 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17261448 | 1.00 | FBP1 (0.51) | FBP1ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL10401115 | 0.89 | FBP1 (0.50) | FBP1ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL14463648 | 0.87 | FBP1 (0.49) | FBP1ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL8867117 | 0.87 | FBP1 (0.49) | FBP1ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL13092439 | 0.81 | ESR1 (0.50) | FBP1ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL1750291 | 0.81 | FBP1 (0.47) | FBP1ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL1032674 | 0.81 | FBP1 (0.47) | FBP1ALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL1971749 | 0.80 | VCP (0.55) | ALDH1A1KDM4EMAPTHPGDCYP1A2 | |
| SCHEMBL10661512 | 0.80 | ALDH1A1 (0.51) | ALDH1A1KDM4EMAPTHPGDNPSR1 | |
| SCHEMBL1971750 | 0.80 | VCP (0.55) | ALDH1A1KDM4EMAPTHPGDCYP1A2 |
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-3143020-A1 | NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2017-03-22 | — | — | EP | disclosed |
| WO-2015173164-A1 | NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2015-11-19 | — | — | WO | disclosed |