Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.43 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1416450 | 0.94 | HDAC1 (0.46) | HDAC3MAPTHTTKDM4EHSD17B10 | |
| SCHEMBL8091261 | 0.92 | HDAC1 (0.49) | HDAC3MAPTHTTKDM4EHSD17B10 | |
| SCHEMBL27824590 | 0.92 | HDAC1 (0.49) | HDAC3MAPTHTTKDM4EHSD17B10 | |
| SCHEMBL4256622 | 0.88 | — | — | |
| SCHEMBL27613807 | 0.80 | ADORA2A (0.41) | MAPTHTTKDM4EHSD17B10USP2 | |
| SCHEMBL29280386 | 0.80 | MAOB (0.49) | MAPTHTTKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL6034785 | 0.80 | MAOB (0.49) | MAPTHTTKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL8166339 | 0.79 | GAA (0.54) | MAPTHTTKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL244451 | 0.79 | — | — | |
| SCHEMBL28105707 | 0.78 | TERT (0.39) | MAPTHTTKDM4EHSD17B10USP2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117328102-A | Composite diaphragm, preparation method thereof and application of composite diaphragm in preparation of electrolytic water to prepare hydrogen diaphragm | 固碳新能源科技(苏州)有限公司 | 2024-01-02 | — | — | CN | disclosed |
| WO-2020135771-A1 | HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 武汉朗来科技发展有限公司 | 2020-07-02 | — | — | WO | disclosed |
| CN-104822653-B | N-prop-2-ynylcarboxamide derivatives and their use as TRPA1 antagonists | 奥赖恩公司 | 2017-03-08 | — | — | CN | disclosed |
| CN-101951771-A | Composition for agricultural use for controlling or preventing plant diseases caused by plant pathogens | SUMITOMO CHEMICAL CO | 2011-01-19 | — | — | CN | disclosed |
| US-6166003-A | Heterocyclic compounds for cancer chemoprevention | LKT LABORATORIES, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000049013-A1 | ISOTHIO CYANATO ALKYLTHIOPHENES AS CANCER CHEMOPROTECTIVE AGENTS | LKT LABORATORIES, INC. (US) | 2000-08-24 | — | — | WO | disclosed |