Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 4/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28151441 | 0.83 | TSHR (0.53) | MAPTKMT2ATDP1CYP3A4ALDH1A1 | |
| Aniline SCHEMBL27574984 | 0.82 | MAPT (0.54) | MAPTKMT2ATDP1CYP3A4ALDH1A1 | |
| Phenol SCHEMBL5934375 | 0.80 | TDP1 (0.61) | MAPTKMT2ATDP1CA12CA1 | |
| Phenol SCHEMBL28833788 | 0.80 | TDP1 (0.61) | MAPTKMT2ATDP1CA12CA1 | |
| Phenol SCHEMBL4258503 | 0.80 | CA2 (0.69) | MAPTKMT2ATDP1CA12CA1 | |
| Phenol SCHEMBL1448002 | 0.80 | CA2 (0.69) | MAPTKMT2ATDP1CA12CA1 | |
| Phenol SCHEMBL28505932 | 0.80 | CA2 (0.69) | MAPTKMT2ATDP1CA12CA1 | |
| Phenol SCHEMBL166786 | 0.80 | CA2 (0.69) | MAPTKMT2ATDP1CA12CA1 | |
| Phenol SCHEMBL28922548 | 0.80 | CA2 (0.69) | MAPTKMT2ATDP1CA12CA1 | |
| Phenol SCHEMBL27854655 | 0.80 | TDP1 (0.69) | MAPTKMT2ATDP1CA12CA1 |
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 | claimed |