Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL12435102 | 0.83 | CA1 (0.37) | CA1CA2CA7DPP4SMN1; SMN2 | |
| SCHEMBL4731170 | 0.83 | CA1 (0.37) | CA1CA2CA7DPP4SMN1; SMN2 | |
| SCHEMBL8238231 | 0.83 | CA1 (0.37) | CA1CA2CA7DPP4SMN1; SMN2 | |
| SCHEMBL12965964 | 0.78 | CA1 (0.38) | CA1CA2CA7SMN1; SMN2CYP2D6 | |
| SCHEMBL13016587 | 0.75 | CA1 (0.35) | CA1CA2CA7SMN1; SMN2CYP2D6 | |
| SCHEMBL4730969 | 0.73 | CA1 (0.38) | CA1CA2CA7SMN1; SMN2CYP2D6 | |
| SCHEMBL15896493 | 0.72 | EPHX1 (0.33) | CA1CA2CA7CYP2D6 | |
| SCHEMBL4743068 | 0.72 | CYP3A4 (0.42) | CA1CA2CA7SMN1; SMN2CYP2D6 | |
| SCHEMBL4743103 | 0.72 | CYP3A4 (0.42) | CA1CA2CA7SMN1; SMN2CYP2D6 | |
| SCHEMBL8245015 | 0.72 | CYP3A4 (0.42) | CA1CA2CA7SMN1; SMN2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014110706-A1 | THIOPHENE-SUBSTITUTED TETRACYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME CORP. (US) | 2014-07-24 | — | — | WO | disclosed |