Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | BCR | P11274 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP4B1 | P13584 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19638103 | 0.91 | SCN5A (0.42) | CYP1A2CYP2C9CYP2C19HSD17B1SCN5A | |
| SCHEMBL679848 | 0.85 | SMN1; SMN2 (0.55) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10068337 | 0.82 | ACHE (0.54) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14301863 | 0.79 | MEN1 (0.52) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL14457620 | 0.79 | TDP1 (0.54) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL24767596 | 0.79 | CYP1A1 (0.48) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13614276 | 0.79 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29083061 | 0.79 | ESR2 (0.59) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7822185 | 0.78 | ESR2 (0.55) | SMN1; SMN2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL23177527 | 0.77 | ESR2 (0.54) | SMN1; SMN2KDM4EABL1ABCB1BCR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3604267-A1 | AROMATIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2020-02-05 | — | — | EP | disclosed |