Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | F12 | P00748 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | NCF1 | P14598 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3915075 | 0.82 | MAPK1 (0.41) | ALDH1A1HSD17B10HPGDKDM4EGLA | |
| SCHEMBL1672648 | 0.74 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL23931683 | 0.72 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL2007326 | 0.70 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL291458 | 0.70 | PARP1 (0.41) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL3034404 | 0.70 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL10772733 | 0.70 | ALDH1A1 (0.47) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL7137927 | 0.70 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 | |
| SCHEMBL7775030 | 0.70 | CYP1A2 (0.42) | ALDH1A1HSD17B10TSHRTDP1CYP2A6 | |
| SCHEMBL28421357 | 0.70 | ALDH1A1 (0.39) | ALDH1A1HSD17B10TSHRHPGDCYP3A4 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117917402-A | Isoindolylamide compound, and pharmaceutical composition and application thereof | 暨南大学 | 2024-04-23 | — | — | CN | claimed |
| CN-110669058-A | Tricyclic quinolone carboxylic acid and preparation method thereof | 江西农业大学 | 2020-01-10 | — | — | CN | claimed |
| EP-2367814-A1 | NEW COMPOUNDS 578 | AstraZeneca AB (SE) | 2011-09-28 | — | — | EP | claimed |
| WO-2010056196-A1 | NEW COMPOUNDS 578 | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | WO | claimed |
| CN-117917402-A | Isoindolylamide compound, and pharmaceutical composition and application thereof | 暨南大学 | 2024-04-23 | — | — | CN | disclosed |
| CN-117917402-A | Isoindolylamide compound, and pharmaceutical composition and application thereof | 暨南大学 | 2024-04-23 | — | — | CN | disclosed |
| CN-115942958-A | Phthalocyanine dye compounds, conjugates and methods of use thereof | 乐天医药生技股份有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-108997194-B | Synthesis method of aminoisoindole derivative | 温州大学 | 2021-09-14 | — | — | CN | disclosed |
| CN-110669058-A | Tricyclic quinolone carboxylic acid and preparation method thereof | 江西农业大学 | 2020-01-10 | — | — | CN | disclosed |
| CN-102592040-B | The method of drug discovery | 基德姆生物科学有限公司 | 2016-12-21 | — | — | CN | disclosed |
| WO-2011142716-A1 | NOVEL HEMIFUMARATE SALT OF ISOINDOLE COMPOUND ACTING AS BACE INHIBITOR | ASTRAZENECA AB (SE) | 2011-11-17 | — | — | WO | disclosed |
| EP-2367814-A1 | NEW COMPOUNDS 578 | AstraZeneca AB (SE) | 2011-09-28 | — | — | EP | disclosed |
| WO-2010056196-A1 | NEW COMPOUNDS 578 | ASTRAZENECA AB (SE) | 2010-05-20 | — | — | WO | disclosed |
| EP-2035378-A1 | SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE | AstraZeneca AB (SE) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007149033-A1 | SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE | ASTRAZENECA AB (SE) | 2007-12-27 | — | — | WO | disclosed |
| WO-2002000651-A2 | FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-01-03 | — | — | WO | disclosed |
| EP-0991638-A1 | NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2000-04-12 | — | — | EP | disclosed |
| WO-1998057951-A1 | NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |
| US-5237045-A | Heat-resistant polytriazines using acid salts of aromatic amines as catalysts for aromatic tetracyano monomers; kinetics | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1993-08-17 | — | — | US | disclosed |