Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 9/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23857056 | 0.88 | TSHR (0.44) | TSHRALDH1A1CHRM3CHRM2CHRM1 | |
| SCHEMBL26688770 | 0.76 | TSHR (0.48) | TSHRALDH1A1CHRM3CHRM2CHRM1 | |
| SCHEMBL23856848 | 0.75 | ALDH1A1 (0.43) | TSHRALDH1A1CHRM2TACR1LTA4H | |
| SCHEMBL712647 | 0.73 | ALDH1A1 (0.49) | TSHRALDH1A1CHRM3CHRM2CHRM1 | |
| SCHEMBL2794206 | 0.73 | TSHR (0.41) | TSHRALDH1A1CHRM3CHRM2CHRM1 | |
| SCHEMBL27620251 | 0.72 | TACR1 (0.44) | TSHRALDH1A1OPRM1TACR1TAAR1 | |
| SCHEMBL28289730 | 0.72 | ALDH1A1 (0.45) | TSHRALDH1A1CHRM3CHRM2CHRM1 | |
| SCHEMBL30959761 | 0.71 | TSHR (0.47) | TSHRALDH1A1CHRM3CHRM2CHRM1 | |
| SCHEMBL13279978 | 0.71 | ALDH1A1 (0.50) | TSHRALDH1A1CHRM3CHRM2CHRM1 | |
| SCHEMBL4750397 | 0.71 | TSHR (0.47) | TSHRALDH1A1CHRM3CHRM2CHRM1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115298176-A | Compounds and their use in the treatment of bacterial infections | 豪夫迈·罗氏有限公司 | 2022-11-04 | — | — | CN | disclosed |