Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | STAT3 | P40763 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20059229 | 0.80 | LDHA (0.54) | LDHACA2CA1CA9CA12 | |
| SCHEMBL16930062 | 0.79 | LDHA (0.51) | LDHACA2CA1CA9CA12 | |
| SCHEMBL9356853 | 0.77 | LDHA (0.66) | LDHACA2STAT3KDM4EATM | |
| SCHEMBL4998033 | 0.76 | LDHA (0.64) | LDHACA2CA1CA9CA12 | |
| Hydrochloric Acid SCHEMBL9352848 | 0.76 | LDHA (0.64) | LDHACA2STAT3KDM4EATM | |
| SCHEMBL16973420 | 0.75 | LDHA (0.62) | LDHACA2KDM4EATMALOX15 | |
| SCHEMBL9444655 | 0.74 | LDHA (0.66) | LDHACA2STAT3KDM4EATM | |
| SCHEMBL9352795 | 0.74 | LDHA (0.60) | LDHACA2CA1CA9CA12 | |
| SCHEMBL490731 | 0.73 | LDHA (1.00) | LDHACA2CA1CA9CA12 | |
| SCHEMBL159001 | 0.73 | LDHA (0.73) | LDHAKDM4EALOX15ALOX12ALDH1A1 |
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-3099685-A1 | NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. Hoffmann-La Roche AG (CH) | 2016-12-07 | — | — | EP | disclosed |
| WO-2015113990-A1 | NOVEL DIHYDROQUINOLIZINONES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2015-08-06 | — | — | WO | disclosed |