Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | ANPEP | P15144 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.42 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6493935 | 1.00 | CYP2A6 (0.50) | CYP2A6CYP1A2ANPEPCNR2CYP3A4 | |
| SCHEMBL25054694 | 0.84 | ALDH1A1 (0.50) | CYP2A6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10866492 | 0.83 | CNR2 (0.54) | CYP2A6CYP1A2ANPEPCNR2CYP3A4 | |
| SCHEMBL9770073 | 0.81 | BACE1 (0.56) | ANPEPCNR2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28251159 | 0.81 | ANPEP (0.53) | CYP2A6CYP1A2ANPEPCNR2CYP3A4 | |
| SCHEMBL29738643 | 0.81 | BACE1 (0.56) | ANPEPCNR2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17320919 | 0.80 | CYP1A2 (0.56) | CYP2A6CYP1A2BACE1TDP1ELANE | |
| SCHEMBL30417613 | 0.79 | CNR2 (0.59) | CYP2A6CYP1A2ANPEPCNR2CYP3A4 | |
| SCHEMBL423417 | 0.79 | CNR2 (0.59) | CYP2A6CYP1A2ANPEPCNR2CYP3A4 | |
| SCHEMBL9361517 | 0.78 | SLC6A4 (0.40) | ANPEPCNR2CYP3A4CYP2C9CYP2C19 |
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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1539821-A | Molecule material of teera aryl aether pentacites | 复旦大学 | 2004-10-27 | — | — | CN | claimed |
| CN-114685331-B | Process for producing 1, 2-dithioethane compound | 华南理工大学 | 2024-07-09 | — | — | CN | disclosed |
| CN-117945964-A | Synthesis method of aryl alkyl asymmetric thioether | 中国人民解放军军事科学院防化研究院 | 2024-04-30 | — | — | CN | disclosed |
| CN-114634432-B | High-efficiency synthesis method of alkyl aryl thioether compound | 润药仁智(北京)科技有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-114685331-A | Process for producing 1, 2-dithioethane compound | 华南理工大学 | 2022-07-01 | — | — | CN | disclosed |
| CN-114634432-A | High-efficiency synthesis method of alkyl aryl thioether compound | 北京大学 | 2022-06-17 | — | — | CN | disclosed |
| CN-111517902-B | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2022-06-14 | — | — | CN | disclosed |
| CN-111517902-A | Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof | 清华大学 | 2020-08-11 | — | — | CN | disclosed |
| WO-2020155595-A1 | AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR | 清华大学 | 2020-08-06 | — | — | WO | disclosed |
| CN-105409037-A | Process for producing active cathode material comprising mixture of metal oxide and metal sulfide and use of active cathode material in rechargeable electrochemical cells | BASF SE | 2016-03-16 | — | — | CN | disclosed |
| CN-1208323-C | Alpha-substituted carboxylic acid derivatives | SANKYO CO (JP) | 2005-06-29 | — | — | CN | disclosed |
| CN-1539821-A | Molecule material of teera aryl aether pentacites | 复旦大学 | 2004-10-27 | — | — | CN | disclosed |
| CN-1503774-A | Carboxylic acid derivatives and salts thereof | ������������ʽ���� | 2004-06-09 | — | — | CN | disclosed |
| CN-1377336-A | Carboxylic acid derivatives and drugs containing the same | EISAI CO LTD (JP) | 2002-10-30 | — | — | CN | disclosed |
| CN-1353694-A | Alpha-substituted carboxylic acid derivatives | SANKYO CO (JP) | 2002-06-12 | — | — | CN | disclosed |
| EP-0478311-A2 | Preparation of 6-Substituted 2-Vinylnaphthalene | HOECHST CELANESE CORPORATION (US) | 1992-04-01 | — | — | EP | disclosed |
| US-5087769-A | PREPARATION OF 6-SUBSTITUTED-2-VINYLNAPHTHALENE | HOECHST CELANESE CORPORATION (US) | 1992-02-11 | — | — | US | disclosed |
| US-4980509-A | Aromatic polycyclic derivatives, their process of preparation and their use in human and veterinary medicine and in cosmetics | SOCIETE ANONYME DITE: L'OREAL (FR) | 1990-12-25 | — | — | US | disclosed |
| EP-0196805-A1 | Acylation of naphthalenes | CELANESE CORPORATION (US) | 1986-10-08 | — | — | EP | disclosed |
| US-4593125-A | In anhydrous hydrogen fluoride | CELANESE CORPORATION (US) | 1986-06-03 | — | — | US | disclosed |