Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.32 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Isobutanol SCHEMBL8909738 | 0.86 | — | — | |
| Isobutanol SCHEMBL10889558 | 0.84 | TDP1 (0.62) | TSHRALDH1A1TDP1TRPA1 | |
| Propylene Glycol SCHEMBL1079956 | 0.84 | TDP1 (0.62) | TSHRALDH1A1TDP1TRPA1 | |
| Isobutanol SCHEMBL27702082 | 0.83 | TSHR (0.64) | TSHRALDH1A1TDP1CYP2D6CYP2C19 | |
| Isopropyl Alcohol SCHEMBL9306830 | 0.83 | ALDH1A1 (0.47) | TSHRALDH1A1TDP1TRPA1 | |
| Isopropyl Alcohol SCHEMBL8059212 | 0.83 | — | — | |
| Isobutanol SCHEMBL10277757 | 0.83 | — | — | |
| SCHEMBL8356772 | 0.82 | ALDH1A1 (0.54) | TSHRALDH1A1TDP1TRPA1CA1 | |
| SCHEMBL19043 | 0.82 | — | — | |
| SCHEMBL5612211 | 0.82 | ALDH1A1 (0.54) | TSHRALDH1A1TDP1TRPA1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002051453-A1 | FRAGRANCE COMPOSITIONS FOR CLOTH TRIMMED AND LEATHER TRIMMED CAR SCENTS | ELSON PAUL (AU) | 2002-07-04 | — | — | WO | disclosed |