Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | UHRF1 | Q96T88 | 2/20 | 0.44 |
| ▸ | CCR1 | P32246 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | CCR8 | P51685 | 2/20 | 0.39 |
| ▸ | IL5 | P05113 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.30 |
| ▸ | COPS5 | Q92905 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18266963 | 0.94 | CYP1A2 (0.67) | CYP1A2CYP2A6UHRF1CCR1CCR5 | |
| SCHEMBL18266965 | 0.91 | CYP1A2 (0.64) | CYP1A2CYP2A6UHRF1CCR1CCR5 | |
| SCHEMBL14970138 | 0.89 | CYP1A2 (0.56) | CYP1A2CYP2A6UHRF1CCR1CCR5 | |
| SCHEMBL17532719 | 0.88 | CYP1A2 (0.83) | CYP1A2CYP2A6UHRF1CCR1CCR5 | |
| SCHEMBL8166969 | 0.85 | CYP1A2 (0.52) | CYP1A2CYP2A6UHRF1CCR1CCR5 | |
| SCHEMBL6844960 | 0.85 | CYP1A2 (0.52) | CYP1A2CYP2A6UHRF1CCR1CCR5 | |
| SCHEMBL7992647 | 0.83 | CYP1A2 (0.56) | CYP1A2CYP2A6UHRF1CCR1CCR5 | |
| SCHEMBL3783978 | 0.81 | ALDH1A1 (0.58) | CYP1A2CYP2A6KDM4EALDH1A1 | |
| SCHEMBL17553029 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP2A6UHRF1CCR1CCR5 | |
| SCHEMBL31220021 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP2A6UHRF1CCR1CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| US-9139569-B2 | Fused tricyclic aryl compounds useful for the treatment of viral diseases | MERCK SHARP & DOHME CORP. (US) | 2015-09-22 | — | — | US | disclosed |