Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | NOS3 | P29474 | 2/20 | 0.49 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29757777 | 1.00 | KDM4E (0.54) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL20356526 | 0.82 | TSHR (0.44) | KDM4EALDH1A1NOS3NOS2ADRA1D | |
| SCHEMBL7819962 | 0.80 | KDM4E (0.58) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL29361631 | 0.78 | KDM4E (0.60) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL7509399 | 0.78 | KDM4E (0.60) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL22995932 | 0.77 | KDM4E (0.63) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL9815282 | 0.77 | ALDH1A1 (0.58) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL30952113 | 0.77 | KDM4E (0.63) | KDM4EALDH1A1NOS3NOS2MAOA | |
| Hydrochloric Acid SCHEMBL3452241 | 0.75 | KDM4E (0.57) | KDM4EALDH1A1NOS3NOS2MAOA | |
| SCHEMBL24224408 | 0.74 | NOS3 (0.55) | KDM4EALDH1A1NOS3NOS2MAOA |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114874139-B | Synthesis method of 1-benzyl or allyl 3, 4-dihydroisoquinoline | 新疆大学 | 2024-02-06 | — | — | CN | claimed |
| CN-114874139-A | Synthesis method of 1-benzyl or allyl 3, 4-dihydroisoquinoline | 新疆大学 | 2022-08-09 | — | — | CN | claimed |
| CN-114874139-B | Synthesis method of 1-benzyl or allyl 3, 4-dihydroisoquinoline | 新疆大学 | 2024-02-06 | — | — | CN | disclosed |
| CN-114874139-B | Synthesis method of 1-benzyl or allyl 3, 4-dihydroisoquinoline | 新疆大学 | 2024-02-06 | — | — | CN | disclosed |
| CN-114874139-B | Synthesis method of 1-benzyl or allyl 3, 4-dihydroisoquinoline | 新疆大学 | 2024-02-06 | — | — | CN | disclosed |
| CN-114874139-A | Synthesis method of 1-benzyl or allyl 3, 4-dihydroisoquinoline | 新疆大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-114874139-A | Synthesis method of 1-benzyl or allyl 3, 4-dihydroisoquinoline | 新疆大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-114874139-A | Synthesis method of 1-benzyl or allyl 3, 4-dihydroisoquinoline | 新疆大学 | 2022-08-09 | — | — | CN | disclosed |
| EP-2611788-B1 | NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE | UNIV FLORIDA (US) | 2017-04-12 | — | — | EP | disclosed |
| US-9440948-B2 | Nicotine compounds and analogs thereof, synthetic methods of making compounds, and methods of use | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2016-09-13 | — | — | US | disclosed |
| EP-2611788-A2 | NICOTINE COMPOUNDS AND ANALOGS THEREOF, SYNTHETIC METHODS OF MAKING COMPOUNDS, AND METHODS OF USE | University of Florida Research Foundation, Incorporated (US) | 2013-07-10 | — | — | EP | 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 |
| 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 |
| US-4766217-A | Preparation of 5,6-dihydro-pyrrolo[2,1-a]isoquinolines | BOEHRINGER INGELHEIM KG (DE) | 1988-08-23 | — | — | US | disclosed |
| EP-0150474-B1 | Process for the preparation of 5,6-dihydro-pyrrolo-[2,1-a]isoquinolines | BOEHRINGER INGELHEIM KG (DE) | 1988-08-17 | — | — | EP | disclosed |
| US-4694085-A | CHEMICAL INTERMEDIATES | BOEHRINGER INGELHEIM KG (DE) | 1987-09-15 | — | — | US | disclosed |
| EP-0150474-A2 | Process for the preparation of 5,6-dihydro-pyrrolo-[2,1-a]isoquinolines | BOEHRINGER INGELHEIM KG (DE) | 1985-08-07 | — | — | EP | disclosed |