Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | FABP4 | P15090 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL772287 | 0.71 | SRD5A2 (0.43) | ALDH1A1FABP4 | |
| SCHEMBL772131 | 0.65 | SRD5A2 (0.47) | ALDH1A1 | |
| SCHEMBL4823441 | 0.64 | FABP4 (0.36) | PARP1DPP4MAPK8FABP4 | |
| SCHEMBL772512 | 0.60 | ALDH1A1 (0.37) | PARP1DPP4MAPK8ALDH1A1 | |
| SCHEMBL21885733 | 0.58 | PDE4A (0.40) | PARP1ALDH1A1 | |
| SCHEMBL15292882 | 0.58 | ESR1 (0.58) | PARP1ALDH1A1 | |
| SCHEMBL774883 | 0.58 | MAPK8 (0.39) | DPP4MAPK8ALDH1A1FABP4 | |
| SCHEMBL121474 | 0.56 | SCN9A (0.68) | — | |
| SCHEMBL1434509 | 0.55 | ESR1 (0.60) | ALDH1A1 | |
| SCHEMBL10986557 | 0.55 | KDM4E (0.54) | ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014121416-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME CORP. (US) | 2014-08-14 | — | — | WO | disclosed |
| WO-2014121418-A1 | TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C | MERCK SHARP & DOHME CORP. (US) | 2014-08-14 | — | — | WO | disclosed |
| WO-2011106986-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |
| WO-2011106929-A1 | INHIBITORS OF HEPATITIS C VIRUS NS5B POLYMERASE | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |