Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.52 |
| ▸ | CA12 | O43570 | 4/20 | 0.52 |
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | CA7 | P43166 | 4/20 | 0.52 |
| ▸ | CA9 | Q16790 | 4/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27595607 | 0.85 | MAPT (0.47) | KMT2ALMNAMAPTTDP1CYP1A2 | |
| SCHEMBL18610656 | 0.84 | MAPT (0.46) | KMT2ALMNAMAPTTDP1CYP1A2 | |
| SCHEMBL11260308 | 0.84 | LMNA (0.53) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL2799224 | 0.84 | CA12 (0.50) | CA12CA1CA2CA9LMNA | |
| SCHEMBL7987182 | 0.84 | OPRM1 (0.38) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL324209 | 0.83 | MMP8 (0.56) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL4290959 | 0.83 | MMP8 (0.56) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL2400228 | 0.83 | MMP8 (0.56) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL22820555 | 0.82 | PTGS2 (0.51) | CA12CA1CA2CA9KMT2A | |
| SCHEMBL27462191 | 0.82 | ALDH1A1 (0.43) | ESR1CA12CA1CA2CA7 |
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-108239029-A | The preparation of tetrahydroisoquinoliderivatives compound and its salt and medical usage | 中国医学科学院药物研究所 | 2018-07-03 | — | — | CN | disclosed |