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 | |
|---|---|---|---|---|
| SCHEMBL14346893 | 0.92 | TRPA1 (0.43) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL11961978 | 0.83 | ESR1 (0.32) | ALDH1A1TSHR | |
| SCHEMBL131361 | 0.83 | ALDH1A1 (0.67) | TRPA1ALDH1A1TSHRCES2CES1 | |
| Bromide SCHEMBL29980639 | 0.79 | ALDH1A1 (0.62) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL8275493 | 0.75 | — | — | |
| SCHEMBL8232723 | 0.75 | — | — | |
| SCHEMBL10064215 | 0.75 | TRPA1 (0.36) | TRPA1ALDH1A1TSHR | |
| SCHEMBL2220712 | 0.73 | TRPA1 (0.56) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL679626 | 0.73 | TSHR (0.56) | TRPA1ALDH1A1TSHRCES2CES1 | |
| SCHEMBL5885289 | 0.73 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019142053-A2 | THERAPEUTIC INHIBITORY COMPOUNDS | LIFESCI PHARMACEUTICALS, INC. (BB) | 2019-07-25 | — | — | WO | disclosed |
| WO-2011103409-A1 | SITE-SPECIFIC MODIFICATION OF PROTEINS THROUGH CHEMICAL MODIFICATION ENABLING PROTEIN CONJUGATES, PROTEIN DIMER FORMATION, AND STAPLED PEPTIDES | ADVANCED PROTEOME THERAPEUTICS INC. (US) | 2011-08-25 | — | — | WO | disclosed |
| WO-2004020441-A1 | HETEREOARYL NITRILE DERIVATIVES | NOVARTIS AG (CH) | 2004-03-11 | — | — | WO | disclosed |