Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27811490 | 0.94 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL7228777 | 0.80 | DPP4 (0.42) | KCNH2 | |
| SCHEMBL12130554 | 0.79 | HRH3 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL12130449 | 0.79 | HRH3 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL12130553 | 0.78 | SLC6A2 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C19HRH3 | |
| SCHEMBL131141 | 0.77 | POLB (0.42) | SLC6A2 | |
| SCHEMBL7229504 | 0.75 | DPP4 (0.39) | TSHRHRH3SLC6A2SLC6A3LMNA | |
| SCHEMBL4896743 | 0.75 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19TSHR | |
| SCHEMBL12130611 | 0.73 | LTA4H (0.47) | HRH3SLC6A2SLC6A3LMNA | |
| SCHEMBL12130604 | 0.73 | HRH3 (0.46) | HRH3SLC6A2SLC6A3KCNH2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| JP-H08502510-A | — | — | 1996-03-19 | — | — | JP | claimed |