Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.40 |
| ▸ | CTSS | P25774 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12175194 | 1.00 | CTSK (0.40) | CTSKCTSSEPHX1TAS1R3TAS1R1 | |
| SCHEMBL19364767 | 0.86 | CTSK (0.39) | CTSKCTSSEPHX1TAS1R3TAS1R1 | |
| SCHEMBL8915362 | 0.85 | GAA (0.31) | — | |
| SCHEMBL21896885 | 0.85 | GAA (0.31) | — | |
| SCHEMBL8921735 | 0.83 | CTSK (0.37) | CTSKCTSSEPHX1CA1CA2 | |
| SCHEMBL8915388 | 0.83 | CTSK (0.37) | CTSKCTSSEPHX1CA1CA2 | |
| SCHEMBL15355010 | 0.83 | CTSK (0.37) | CTSKCTSSEPHX1CA1CA2 | |
| SCHEMBL19485900 | 0.82 | GAA (0.35) | CTSKCTSSCA1CA2 | |
| SCHEMBL14865102 | 0.82 | L3MBTL1 (0.43) | CTSKCTSSTAS1R3TAS1R1CYP3A4 | |
| SCHEMBL20643810 | 0.82 | L3MBTL1 (0.43) | CTSKCTSSTAS1R3TAS1R1CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9796705-B2 | Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases | MERCK SHARP & DOHME CORP. (US) | 2017-10-24 | — | — | US | disclosed |
| EP-2430015-B1 | FUSED TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME (US) | 2015-06-17 | — | — | EP | disclosed |
| EP-2368890-B9 | Hepatitis C virus inhibitors | ABBVIE BAHAMAS LTD (BS) | 2013-10-30 | — | — | EP | disclosed |
| EP-2368890-B1 | Hepatitis C virus inhibitors | ABBVIE BAHAMAS LTD (BS) | 2013-04-17 | — | — | EP | disclosed |
| WO-2010138790-A1 | ANTIVIRAL COMPOUNDS COMPOSED OF THREE ALIGNED ARYL MOIETIES TO TREAT DISEASES SUCH AS HEPATITIS C | SCHERING CORPORATION (US) | 2010-12-02 | — | — | WO | disclosed |