Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 4/20 | 0.43 |
| ▸ | XDH | P47989 | 2/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | BCR | P11274 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29955117 | 1.00 | AHR (0.48) | AHRALDH1A1CYP2A6CYP1A1CYP1B1 | |
| 3,4-Dimethoxybenzaldehyde SCHEMBL29038303 | 0.85 | ALDH1A1 (0.67) | ALDH1A1CYP1A1CYP1B1KMT2AMEN1 | |
| SCHEMBL1663786 | 0.84 | ALDH1A1 (0.58) | AHRALDH1A1CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL228003 | 0.84 | CYP1A1 (0.64) | AHRALDH1A1CYP2A6CYP1A1CYP1B1 | |
| Water SCHEMBL28227114 | 0.82 | CYP1A1 (0.61) | AHRALDH1A1CYP2A6CYP1A1CYP1B1 | |
| SCHEMBL12221463 | 0.79 | NPC1 (0.66) | AHRALDH1A1CYP2A6KMT2AMEN1 | |
| SCHEMBL16960019 | 0.79 | AHR (0.48) | AHRALDH1A1CYP1A1CYP1B1EGFR | |
| SCHEMBL16956942 | 0.79 | AHR (0.48) | AHRALDH1A1CYP1A1CYP1B1EGFR | |
| SCHEMBL30902466 | 0.79 | TACR2 (0.43) | AHRALDH1A1MAPTESR1CYP1A2 | |
| Formic Acid Methyl Ester SCHEMBL28071788 | 0.78 | CYP1A1 (0.56) | AHRALDH1A1CYP2A6CYP1A1CYP1B1 |
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 159 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116283821-B | Phencyclized propylamine compound, preparation method and application | 郑州大学 | 2024-01-26 | — | — | CN | claimed |
| CN-116283821-A | Phencyclized propylamine compound, preparation method and application | 郑州大学 | 2023-06-23 | — | — | CN | claimed |
| CN-115594669-B | Parallel ring derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司 | 2024-11-05 | — | — | CN | disclosed |
| WO-2024183807-A1 | ARYL FUSED IMIDAZOLE COMPOUND AND MEDICAL USE THEREOF | 哈尔滨三联药业股份有限公司 | 2024-09-12 | — | — | WO | disclosed |
| CN-118619885-A | Arylimidazole compound and medical application thereof | 哈尔滨三联药业股份有限公司 | 2024-09-10 | — | — | CN | disclosed |
| CN-116283821-B | Phencyclized propylamine compound, preparation method and application | 郑州大学 | 2024-01-26 | — | — | CN | disclosed |
| CN-116283821-A | Phencyclized propylamine compound, preparation method and application | 郑州大学 | 2023-06-23 | — | — | CN | disclosed |
| CN-115160098-B | Oxygen-containing compound deoxidization methylation method | 中国科学院兰州化学物理研究所 | 2023-06-06 | — | — | CN | disclosed |
| CN-115594669-A | Fused ring derivative and preparation method and medical application thereof | 深圳信立泰药业股份有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-115160098-A | Oxygen-containing compound deoxidation and methylation method | 中国科学院兰州化学物理研究所 | 2022-10-11 | — | — | CN | disclosed |
| CN-109863145-B | Novel tetrahydroisoquinoline and tetrahydronaphthyridine compounds for the treatment and prevention of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2022-04-12 | — | — | CN | disclosed |
| US-6140495-A | SPIROADAMANTYL DIOXETANES BEARING AN ALKOXY SUBSTITUENT AND AN AROMATIC SUBSTITUENT OF PHENYL OR NAPHTHYL ON THE DIOXETANE RING; REPORTER MOLECULES FOR MEASUREMENT OF ENZYMATIC ACTIVITY | TROPIX, INC. (US) | 2000-10-31 | — | — | US | disclosed |
| US-6022964-A | SPIROADAMANTYL DIOXETANES WITH AN ALKOXY SUBSTITUENT AND A NAPHTHYL SUBSTITUENT ON THE DIOXETANE RING WHICH CAN BE ACTIVATED BY ENZYMATIC CLEAVAGE OF LABILE GROUP; KINETICS AND SIGNAL INTENSITY DEPENDS ON ELECTRON-ACTIVATING GROUP | TROPIX, INC. (US) | 2000-02-08 | — | — | US | disclosed |
| EP-0910573-A1 | NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | Astra Aktiebolag (SE) | 1999-04-28 | — | — | EP | disclosed |
| US-5851771-A | Chemiluminescent 1,2-dioxetanes | TROPIX, INC. (US) | 1998-12-22 | — | — | US | disclosed |
| US-5840919-A | SPIROADAMANTYL 1,2-DIOXETANES CHARACTERIZED BY SUBSTITUENT ON AROMATIC RING IN ADDITION TO META-SUBSTITUTED ENZYME-LABILE GROUP | TROPIX, INC. (US) | 1998-11-24 | — | — | US | disclosed |
| WO-1997046577-A1 | NEW AMINO ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS | ASTRA AKTIEBOLAG (SE) | 1997-12-11 | — | — | WO | disclosed |
| US-5677329-A | ANTAGONIST TO EPIDERMAL GROWTH FACTOR | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1997-10-14 | — | — | US | disclosed |
| US-5597837-A | Method and composition for treating psoriasis with styryl-substituted pyridyl compounds | Rh one-Poulenc Rorer Pharmaceuticals Inc. (US) | 1997-01-28 | — | — | US | disclosed |
| US-5538847-A | Chemiluminescent 1,2-dioxetanes | TROPIX, INC. (US) | 1996-07-23 | — | — | US | disclosed |