Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | TYMS | P04818 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29769963 | 0.84 | CASP1 (0.37) | MEN1KMT2AKDM4EMAPTCA9 | |
| SCHEMBL3863140 | 0.84 | CASP1 (0.37) | MEN1KMT2AKDM4EMAPTCA9 | |
| Iodide SCHEMBL8224741 | 0.82 | MAOB (0.45) | MEN1KMT2AKDM4EMAPTALDH1A1 | |
| SCHEMBL18023177 | 0.79 | MAPT (0.35) | MEN1KMT2AKDM4EMAPTCA9 | |
| SCHEMBL23348757 | 0.76 | PBRM1 (0.37) | CA2MAOADRD1DRD3 | |
| SCHEMBL9573156 | 0.76 | HTR2A (0.38) | HTR1AADRA2AACHESLC6A2SLC6A4 | |
| SCHEMBL29458622 | 0.76 | ADRA2A (0.39) | KMT2AADRA2AACHESLC6A4 | |
| SCHEMBL4724433 | 0.76 | ADRA2A (0.34) | KDM4EMAPTGAAALDH1A1RAB9A | |
| SCHEMBL9572969 | 0.76 | ADRA2A (0.39) | KMT2AADRA2AACHESLC6A4 | |
| SCHEMBL30782257 | 0.76 | TRPA1 (0.45) | ADRA2AKDR |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |
| WO-2023109909-A1 | AROMATIC HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR AND USES THEREOF | 上海翊石医药科技有限公司 | 2023-06-22 | — | — | WO | disclosed |
| CN-107207464-B | Substituted dihydro-isoquinoline ketone compound | 辉瑞大药厂 | 2019-10-22 | — | — | CN | disclosed |
| CN-110294742-A | And ring class ASK1 inhibitor and its application | 山东轩竹医药科技有限公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-109689664-A | The quinoline and azepine quinoline compound that tricyclic heteroaryl as PAR4 inhibitor replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-105829315-B | Pyrimidopyrimidinones useful as Wee-1 kinase inhibitors | 阿尔麦克探索有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-107501099-A | The adjusting control agent of ATP combination cassette transporters | 沃泰克斯药物股份有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-107207464-A | Substituted dihydro-isoquinoline assimilation compound | 辉瑞大药厂 | 2017-09-26 | — | — | CN | disclosed |
| CN-104788328-B | The adjusting control agent of ATP combination cassette transporters | 沃泰克斯药物股份有限公司 | 2017-09-12 | — | — | CN | disclosed |
| CN-101935301-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2011-01-05 | — | — | CN | disclosed |
| CN-101891680-A | The adjusting control agent of ATP- combination cassette transporters | VERTEX PHARMA | 2010-11-24 | — | — | CN | disclosed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |
| US-6277861-B1 | FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN | SMITHKLINE BEECHAM, P.L.C. (GB) | 2001-08-21 | — | — | US | disclosed |
| EP-1104404-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS | SMITHKLINE BEECHAM PLC (GB) | 2001-06-06 | — | — | EP | disclosed |
| WO-2000009486-A1 | SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2000-02-24 | — | — | WO | disclosed |
| WO-2000007993-A1 | SUBSTITUTED ISOQUINOLEINES AND THEIR USE AS ANTICONVULSIVANTS | SMITHKLINE BEECHAM PLC (GB) | 2000-02-17 | — | — | WO | disclosed |
| EP-0971897-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998041507-A1 | ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES | SMITHKLINE BEECHAM PLC (GB) | 1998-09-24 | — | — | WO | disclosed |