Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19059536 | 0.79 | SLC6A5 (0.52) | HRH3EPHX2CYP3A4TSHRHRH4 | |
| SCHEMBL16070708 | 0.73 | SLC6A5 (0.77) | EPHX2CYP3A4CYP2C19SLC6A5 | |
| SCHEMBL29713992 | 0.73 | SLC6A5 (0.77) | EPHX2CYP3A4CYP2C19SLC6A5 | |
| SCHEMBL2177294 | 0.70 | FAAH (0.50) | EPHX2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL23787348 | 0.70 | QPCT (0.53) | HRH3EPHX2CYP3A4CYP2D6TSHR | |
| SCHEMBL18381238 | 0.69 | CYP3A4 (0.65) | HRH3CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL3057446 | 0.69 | EPHX2 (0.60) | EPHX2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL29615190 | 0.69 | EPHX2 (0.60) | EPHX2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL2276192 | 0.69 | QPCT (0.56) | EPHX2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL27675779 | 0.69 | EPHX2 (0.60) | EPHX2CYP3A4CYP2D6TSHRCYP2C19 |
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-7211590-B2 | Nitrosated proton pump inhibitors, compositions and methods of use | NITROMED, INC. (US) | 2007-05-01 | — | — | US | disclosed |