Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 11/20 | 0.47 |
| ▸ | CA2 | P00918 | 11/20 | 0.47 |
| ▸ | CA9 | Q16790 | 5/20 | 0.45 |
| ▸ | STAT3 | P40763 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21623313 | 0.89 | CYP1A2 (0.55) | CYP1A2CA1CA2CA9STAT3 | |
| SCHEMBL21623372 | 0.87 | CYP1A2 (0.57) | CYP1A2CA1CA2CA9STAT3 | |
| SCHEMBL21623376 | 0.84 | CYP1A2 (0.65) | CYP1A2CA1CA2CA9STAT3 | |
| SCHEMBL19199071 | 0.83 | CA1 (0.68) | CYP1A2CA1CA2STAT3TP53 | |
| SCHEMBL21623248 | 0.76 | CYP1A2 (0.65) | CYP1A2CA1CA2CA9STAT3 | |
| SCHEMBL15076530 | 0.76 | MAPT (0.54) | CYP1A2TP53MAPT | |
| SCHEMBL15076378 | 0.76 | MAPT (0.51) | CYP1A2TP53MAPT | |
| SCHEMBL15076492 | 0.75 | MEN1 (0.47) | CYP1A2CA1CA2TP53MAPT | |
| SCHEMBL21623262 | 0.74 | CYP1A2 (0.53) | CYP1A2CA1CA2CA9STAT3 | |
| SCHEMBL21623266 | 0.74 | CYP1A2 (0.62) | CYP1A2CA1CA2CA9STAT3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020016434-A1 | CYCLIC INHIBITORS OF HEPATITIS B VIRUS | OSPEDALE SAN RAFFAELE S.R.L. (IT) | 2020-01-23 | — | — | WO | disclosed |
| WO-2020016434-A1 | CYCLIC INHIBITORS OF HEPATITIS B VIRUS | OSPEDALE SAN RAFFAELE S.R.L. (IT) | 2020-01-23 | — | — | WO | disclosed |
| EP-3597653-A1 | CYCLIC INHIBITORS OF HEPATITIS B VIRUS | IRBM S.P.A. (IT) | 2020-01-22 | — | — | EP | disclosed |