Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Indole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 7/20 | 0.81 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.81 |
| ▸ | CA1 | P00915 | 1/20 | 0.81 |
| ▸ | CA2 | P00918 | 1/20 | 0.81 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.81 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.81 |
| ▸ | ITGAL | P20701 | 1/20 | 0.81 |
| ▸ | CA4 | P22748 | 1/20 | 0.81 |
| ▸ | CA6 | P23280 | 1/20 | 0.81 |
| ▸ | ADK | P55263 | 1/20 | 0.81 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Indole SCHEMBL23932530 | 0.98 | AHR (0.77) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28905552 | 0.98 | AHR (0.85) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL6323417 | 0.91 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL30250492 | 0.90 | — | — | |
| Indole SCHEMBL29352896 | 0.90 | — | — | |
| Indole SCHEMBL698 | 0.90 | — | — | |
| Indole SCHEMBL30463845 | 0.90 | — | — | |
| Indole SCHEMBL1160186 | 0.90 | AHR (1.00) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28071644 | 0.90 | AHR (1.00) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL7643909 | 0.89 | AHR (0.71) | AHRTRPA1CA1CA2ITGB2 |
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 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116768864-A | Piperazine indole amide compound, and preparation method and application thereof | 河南省锐达医药科技有限公司 | 2023-09-19 | — | — | CN | claimed |
| CN-110066283-B | Indole diketopiperazine alkaloid and preparation method and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2020-06-30 | — | — | CN | claimed |
| CN-110452200-A | Heterocyclic compound and organic light emitting apparatus comprising the heterocyclic compound | SAMSUNG DISPLAY CO LTD | 2019-11-15 | — | — | CN | claimed |
| CN-107141286-A | The synthetic method of 3 aryl substituted indole piperazines | 南京理工大学 | 2017-09-08 | — | — | CN | claimed |
| CN-103992326-B | Indole hexahydropyrazine quinazolinone anti-tumor compounds and preparation method thereof | 中国人民解放军第二军医大学 | 2016-09-28 | — | — | CN | claimed |
| CN-104557879-B | A kind of method of extraction and isolation diketopiperazines indole alkaloid from Hemp Seed | SHANDONG UNIVERSITY (CN) | 2015-11-18 | — | — | CN | claimed |
| CN-104557879-A | Method for extracting and separating diketopiperazine indole alkaloids from fructus cannabis | UNIV SHANDONG | 2015-04-29 | — | — | CN | claimed |
| CN-103992326-A | Indol-hexahydropyrazine-quinazolinone anti-tumour compounds and preparation method thereof | UNIV PLA 2ND MILITARY MEDICAL | 2014-08-20 | — | — | CN | claimed |
| CN-115124505-B | Indole alkaloid compound and preparation method and application thereof | 云南中烟工业有限责任公司 | 2023-07-18 | — | — | CN | disclosed |
| CN-111139185-B | Aspergillus fungi and application thereof | 广州中医药大学(广州中医药研究院) | 2023-03-10 | — | — | CN | disclosed |
| CN-115124505-A | Indole alkaloid compound and preparation method and application thereof | 云南中烟工业有限责任公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-115052630-A | Compositions and methods for treating influenza a infection | 维尔生物科技有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-114763355-A | Heptacyclic indole diketopiperazine compound, preparation, antithrombotic activity and application thereof | 首都医科大学 | 2022-07-19 | — | — | CN | disclosed |
| CN-110759911-B | Carboline derivative, preparation method thereof and application thereof in preventing and treating plant viruses, killing bacteria and killing insects | 南开大学 | 2022-05-24 | — | — | CN | disclosed |
| WO-1996023785-A1 | SUBSTITUTED 1,4-PIPERAZINE-HETEROARYL DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-08-08 | — | — | WO | disclosed |
| CN-1101916-A | Compounds | SMITHKLINE BEECHAM CORP (US) | 1995-04-26 | — | — | CN | disclosed |
| CN-1023602-C | Antipsychotic 3-piperazinylbenzazole derivs. | JANSSEN PHARMACEUTICA NV (BE) | 1994-01-26 | — | — | CN | disclosed |
| EP-0237781-B1 | PHENYL AND HETEROCYCLIC TETRAHYDROPYRIDYL AND PIPERAZINYL ALKOXY-BENZHETEROCYCLIC COMPOUNDS AS ANTIPSYCHOTIC AGENTS | WARNER-LAMBERT COMPANY (US) | 1991-04-24 | — | — | EP | disclosed |
| US-4954502-A | Antidepressants | BRISTOL-MYERS SQUIBB COMPANY (US) | 1990-09-04 | — | — | US | disclosed |
| CN-1040194-A | Psycholeptic 3-piperazinyl indole derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1990-03-07 | — | — | CN | disclosed |