Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABBR2 | O75899 | 4/20 | 0.61 |
| ▸ | GABBR1 | Q9UBS5 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10078181 | 0.92 | GABBR2 (0.50) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL10078184 | 0.87 | GABBR2 (0.46) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL11338302 | 0.85 | GABBR2 (0.45) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL27511611 | 0.85 | GABBR2 (0.45) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL28747890 | 0.85 | CYP2D6 (0.51) | GABBR2GABBR1MAPTCYP2D6LMNA | |
| SCHEMBL814384 | 0.84 | ATM (0.58) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL809740 | 0.84 | ATM (0.58) | GABBR2GABBR1MAPTMEN1KMT2A | |
| SCHEMBL27671897 | 0.84 | GABBR2 (0.65) | GABBR2GABBR1MEN1KMT2AFNTA | |
| SCHEMBL27509080 | 0.84 | FFAR1 (0.44) | GABBR2GABBR1MEN1KMT2AFNTA | |
| SCHEMBL3140559 | 0.83 | CYP2D6 (0.42) | GABBR2GABBR1KDM4ECYP2D6CYP2C19 |
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-116947636-A | Preparation method of 2-acyl-4-oxo-butyrate derivative | 华侨大学 | 2023-10-27 | — | — | CN | disclosed |
| CN-115813901-A | Application of 3-phenylpentanedioic acid derivative small molecules in preparation of medicine for preventing and treating cisplatin-induced acute kidney injury | 南京市儿童医院 | 2023-03-21 | — | — | CN | disclosed |
| CN-1210256-C | Diacylhydrazine derivs. | MERCK PATENT GMBH (DE) | 2005-07-13 | — | — | CN | disclosed |
| CN-1360568-A | Diacylhydrazine derivs. | MERCK PATENT GMBH (DE) | 2002-07-24 | — | — | CN | disclosed |
| WO-1999054321-A1 | SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS | AVENTIS PHARMA LIMITED (GB) | 1999-10-28 | — | — | WO | disclosed |
| US-4536592-A | ANTISECRETORY AGENT | G. D. SEARLE & CO. (US) | 1985-08-20 | — | — | US | disclosed |