Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL11672445 | 0.83 | TSHR (0.53) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| SCHEMBL9067937 | 0.78 | TSHR (0.47) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| SCHEMBL7868042 | 0.78 | TSHR (0.47) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| SCHEMBL10496051 | 0.78 | TSHR (0.47) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| SCHEMBL8601094 | 0.78 | TSHR (0.47) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| SCHEMBL10496056 | 0.78 | TSHR (0.47) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| SCHEMBL1941200 | 0.77 | TSHR (0.40) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| SCHEMBL5610973 | 0.75 | TSHR (0.61) | TSHRALDH1A1TP53 | |
| SCHEMBL11401734 | 0.73 | TSHR (0.42) | TSHRALDH1A1TP53CYP2D6CYP2C19 | |
| SCHEMBL9619717 | 0.73 | ALDH1A1 (0.42) | TSHRALDH1A1TP53CYP2D6CYP2C19 |
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-0440995-A1 | Process for preparing 1-octene | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-08-14 | — | — | EP | disclosed |