Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.38 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.34 |
| ▸ | BDKRB1 | P46663 | 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 | |
|---|---|---|---|---|
| SCHEMBL3709926 | 0.86 | HTT (0.59) | ESR1KCNH2HTTLMNAPDK1 | |
| SCHEMBL17007872 | 0.86 | HTT (0.59) | ESR1KCNH2HTTLMNAPDK1 | |
| SCHEMBL17333853 | 0.83 | HTT (0.50) | HTTLMNACYP2C9L3MBTL1CYP1A2 | |
| SCHEMBL23525897 | 0.83 | HTT (0.50) | HTTLMNACYP2C9L3MBTL1CYP1A2 | |
| SCHEMBL28880398 | 0.77 | HTT (0.43) | HTTLMNAMEN1MAPTKMT2A | |
| SCHEMBL15336461 | 0.77 | HTT (0.43) | HTTLMNAMEN1MAPTKMT2A | |
| SCHEMBL29824350 | 0.77 | HTT (0.43) | HTTLMNAMEN1MAPTKMT2A | |
| SCHEMBL18361484 | 0.75 | GABRA1 (0.46) | ESR1KCNH2HTTLMNACYP2C9 | |
| SCHEMBL11529099 | 0.75 | HDAC3 (0.63) | LMNACYP2C9HDAC3HDAC1HDAC6 | |
| SCHEMBL233199 | 0.74 | ALDH1A1 (0.36) | ESR1KCNH2HTTCNR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023174383-A1 | DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2023-09-21 | — | — | WO | disclosed |