Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Decane SCHEMBL27826777 | 1.00 | TSHR (0.53) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Hexane SCHEMBL28221226 | 0.97 | TSHR (0.47) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Dodecanol SCHEMBL28122094 | 0.87 | LMNA (0.65) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Pyrrole SCHEMBL27685401 | 0.87 | TSHR (0.65) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Pyrrole SCHEMBL8188435 | 0.87 | TSHR (0.40) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Pyrrole SCHEMBL17626377 | 0.87 | TSHR (0.40) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Benzene SCHEMBL27960838 | 0.84 | DNM1 (0.62) | TSHRTHRBDNM1ALDH1A1MEN1 | |
| Dodecylamine SCHEMBL27960870 | 0.84 | DNM1 (0.62) | TSHRTHRBDNM1ALDH1A1MEN1 | |
| Pyrrole SCHEMBL5906995 | 0.83 | TSHR (0.60) | TSHRTHRBALDH1A1LMNAABCB11 | |
| Pyrrole SCHEMBL22747890 | 0.82 | — | — |
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-108069969-A | Nitrogen-containing heterocycle compound, preparation method, intermediate, pharmaceutical composition and application | 礼沃（上海）医药科技有限公司 | 2018-05-25 | — | — | CN | disclosed |