Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9193388 | 0.76 | CASR (0.36) | CYP1A2CYP3A4CYP2D6TSHRSLC6A4 | |
| SCHEMBL9193909 | 0.76 | CASR (0.36) | CYP1A2CYP3A4CYP2D6TSHRSLC6A4 | |
| SCHEMBL2146152 | 0.76 | CYP2C19 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL874969 | 0.75 | CASR (0.41) | CYP1A2CYP2D6TSHRSLC6A4CYP2C19 | |
| SCHEMBL11424799 | 0.75 | CYP2C19 (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR | |
| SCHEMBL7778374 | 0.72 | CASR (0.37) | CYP1A2CYP2D6TSHRSLC6A4CYP2C19 | |
| SCHEMBL28358211 | 0.72 | THRB (0.46) | — | |
| SCHEMBL8758485 | 0.72 | CASR (0.34) | CYP1A2CYP3A4CYP2D6TSHRSLC6A4 | |
| SCHEMBL6540266 | 0.72 | LTA4H (0.41) | CYP1A2CYP2D6CYP2C9TSHRSLC6A4 | |
| SCHEMBL10808238 | 0.71 | CASR (0.34) | CYP1A2CYP3A4CYP2D6CYP2C9TSHR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-6065190-A | — | — | None | — | — | JP | disclosed |
| JP-H0665190-A | VINYLBENZYL COMPOUND | TOKUYAMA SODA CO LTD | 1994-03-08 | — | — | JP | disclosed |