Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.36 |
| ▸ | MAP3K5 | Q99683 | 3/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
| ▸ | C5AR1 | P21730 | 2/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28739021 | 1.00 | SCN9A (0.38) | SCN9ANQO1ADORA1UCHL1MAP3K5 | |
| SCHEMBL28739042 | 0.92 | NQO1 (0.46) | SCN9ANQO1ADORA1UCHL1MAP3K5 | |
| SCHEMBL29644414 | 0.92 | NQO1 (0.46) | SCN9ANQO1ADORA1UCHL1MAP3K5 | |
| SCHEMBL25299079 | 0.84 | ADORA1 (0.43) | SCN9AADORA1UCHL1ESR2TMEM97 | |
| SCHEMBL31057139 | 0.84 | ADORA1 (0.43) | SCN9AADORA1UCHL1ESR2TMEM97 | |
| SCHEMBL25299080 | 0.84 | ADORA1 (0.43) | SCN9AADORA1UCHL1ESR2TMEM97 | |
| SCHEMBL28739147 | 0.84 | LMNA (0.37) | NAMPTKMT2APOLBMAPT | |
| SCHEMBL29201185 | 0.83 | NQO1 (0.55) | SCN9ANQO1UCHL1ESR2 | |
| SCHEMBL25259759 | 0.80 | ADORA1 (0.46) | SCN9AADORA1UCHL1MAP3K5ESR2 | |
| SCHEMBL25300998 | 0.80 | ADORA1 (0.46) | SCN9AADORA1UCHL1MAP3K5ESR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114507181-B | Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-03-26 | — | — | CN | disclosed |
| CN-114507181-A | Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-05-17 | — | — | CN | disclosed |