Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2702074 | 0.92 | TRPA1 (0.50) | TRPA1ALDH1A1TSHRHRH3CES2 | |
| SCHEMBL9552726 | 0.86 | HRH3 (0.47) | TSHRHRH3MAOBTAAR1 | |
| SCHEMBL9609757 | 0.86 | TSHR (0.56) | TRPA1ALDH1A1TSHRHRH3CES2 | |
| SCHEMBL679626 | 0.86 | TSHR (0.56) | TRPA1ALDH1A1TSHRHRH3CES2 | |
| SCHEMBL9510277 | 0.86 | HRH3 (0.47) | TSHRHRH3MAOBTAAR1 | |
| Water SCHEMBL11481683 | 0.83 | TSHR (0.53) | TRPA1ALDH1A1TSHRHRH3CES2 | |
| Methane SCHEMBL11480910 | 0.83 | TSHR (0.53) | TRPA1ALDH1A1TSHRHRH3CES2 | |
| SCHEMBL9553538 | 0.80 | MAOB (0.43) | TRPA1ALDH1A1TSHRHRH3CES2 | |
| SCHEMBL8015172 | 0.79 | MAOB (0.52) | TRPA1ALDH1A1TSHRHRH3MAOB | |
| SCHEMBL31377005 | 0.78 | ALDH1A1 (0.48) | TRPA1ALDH1A1TSHRHRH3CES2 |
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-2651964-B1 | CROSS-LINKED PEPTIDES AND PROTEINS, METHODS OF MAKING SAME, AND USES THEREOF | UNIV NEW YORK STATE RES FOUND (US) | 2018-02-28 | — | — | EP | disclosed |