Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 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 | |
|---|---|---|---|---|
| Benzyl Bromide SCHEMBL8527577 | 0.86 | TSHR (0.74) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL649682 | 0.83 | ALDH1A1 (0.37) | ALDH1A1TSHR | |
| SCHEMBL131361 | 0.83 | ALDH1A1 (0.67) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL127491 | 0.75 | — | — | |
| SCHEMBL127492 | 0.75 | — | — | |
| SCHEMBL679626 | 0.73 | TSHR (0.56) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL5885289 | 0.73 | ALDH1A1 (0.56) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL679947 | 0.73 | HRH3 (0.47) | ALDH1A1TSHR | |
| SCHEMBL2220712 | 0.73 | TRPA1 (0.56) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL9609757 | 0.73 | TSHR (0.56) | TRPA1ALDH1A1TSHRCES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022046163-A1 | CATIONIC POLYMERS COMPRISING NITROGEN-CONTAINING HETEROCYCLES AND THEIR APPLICATION IN WELLBORE STABILITY | SAUDI ARABIAN OIL COMPANY (SA) | 2022-03-03 | — | — | WO | disclosed |
| WO-2017037639-A1 | A PROCESS FOR THE PREPARATION OF XYLENE LINKED CYCLAM COMPOUNDS | FRESENIUS KABI ONCOLOGY LTD. (IN) | 2017-03-09 | — | — | WO | disclosed |