Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
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 | 0.90 |
| ▸ | CA1 | P00915 | 2/20 | 0.90 |
| ▸ | CA4 | P22748 | 2/20 | 0.90 |
| ▸ | CA6 | P23280 | 2/20 | 0.90 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.90 |
| ▸ | CA2 | P00918 | 1/20 | 0.90 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.90 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.90 |
| ▸ | ITGAL | P20701 | 1/20 | 0.90 |
| ▸ | ADK | P55263 | 1/20 | 0.90 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | F3 | P13726 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
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 SCHEMBL429839 | 0.97 | AHR (0.94) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL7004015 | 0.97 | AHR (0.94) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL27362939 | 0.97 | AHR (0.94) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL8504658 | 0.97 | AHR (0.94) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL29559913 | 0.97 | AHR (0.94) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL27595423 | 0.95 | AHR (0.90) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL28260194 | 0.95 | AHR (0.90) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL30250492 | 0.95 | — | — | |
| Indole SCHEMBL29352896 | 0.95 | — | — | |
| Indole SCHEMBL30463845 | 0.95 | — | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5994559-A | Synthesis of monatin-A high intensity natural sweetener | THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) | 1999-11-30 | — | — | US | claimed |
| CN-105153126-B | A kind of preparation method of bisindole maleimide class compound | 东华大学 | 2017-10-24 | — | — | CN | disclosed |
| CN-105153126-A | Preparation method of bisindolyl maleimide compounds | NAT UNIV DONG HWA | 2015-12-16 | — | — | CN | disclosed |
| CN-102924437-B | 3-piperazine-4-indol maleimide compound and preparation and application thereof | UNIV DONGHUA | 2014-07-02 | — | — | CN | disclosed |
| CN-102924437-A | 3-piperazine-4-indol maleimide compound and preparation and application thereof | UNIV DONGHUA | 2013-02-13 | — | — | CN | disclosed |
| US-8367847-B2 | Production of monatin enantiomers | CARGILL, INCORPORATED (US) | 2013-02-05 | — | — | US | disclosed |
| CN-101475563-B | 3-amino-4-indole-N-methyl maleimide compound, preparation and use thereof | UNIV DONGHUA | 2012-11-14 | — | — | CN | disclosed |
| CN-101671329-B | Indolylmaleimide compound substituted with 3-amino alcohol, preparation method and application thereof | UNIV DONGHUA | 2012-11-07 | — | — | CN | disclosed |
| CN-101348482-B | 3-amido-4-indole maleimide compound and preparation method and application thereof | UNIV DONGHUA | 2012-05-09 | — | — | CN | disclosed |
| US-20120071669-A1 | PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF | USV Limited B.S.D. Mar (IN) | 2012-03-22 | — | — | US | disclosed |
| EP-2209767-A2 | PRODUCTION OF MONATIN ENANTIOMERS | Cargill, Incorporated (US) | 2010-07-28 | — | — | EP | disclosed |
| CN-101671329-A | Indolylmaleimide compound substituted with 3-amino alcohol, preparation method and application thereof | UNIV DONGHUA | 2010-03-17 | — | — | CN | disclosed |
| CN-101475563-A | 3-amino-4-indole-N-methyl maleimide compound, preparation and use thereof | UNIV DONGHUA (CN) | 2009-07-08 | — | — | CN | disclosed |
| WO-2009044245-A2 | PRODUCTION OF MONATIN ENANTIOMERS | CARGILL, INCORPORATED (US) | 2009-04-09 | — | — | WO | disclosed |
| US-20090088577-A1 | PRODUCTION OF MONATIN ENANTIOMERS | CARGILL, INCORPORATED | 2009-04-02 | — | — | US | disclosed |
| CN-101348482-A | 3-amido-4-indole maleimide compound, preparation and use thereof | UNIV DONGHUA (CN) | 2009-01-21 | — | — | CN | disclosed |
| US-5994559-A | Synthesis of monatin-A high intensity natural sweetener | THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) | 1999-11-30 | — | — | US | disclosed |
| US-5994559-A | Synthesis of monatin-A high intensity natural sweetener | THE BOARD OF GOVERNORS FOR HIGHER EDUCATION, STATE OF RHODE ISLAND AND PROVIDENCE PLANTATIONS (US) | 1999-11-30 | — | — | US | disclosed |
| US-5559246-A | PROCESS OF DEHYDROHALOGENATION FOR CYCLIZATION TO PRODUCE PSYCHOTHERAPEUTIC AGENTS AND ANTISEROTONIN ANTAGONIST | PFIZER INC. (US) | 1996-09-24 | — | — | US | disclosed |
| WO-1995007910-A1 | ANTIVIRAL INDOLE DERIVATIVES | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-03-23 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120071669-A1 | PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF | HTR3C, SLC6A4, HTR3A | AHR 496/4885CA1 2039/4885CA4 1863/4885 |
| US-20090088577-A1 | PRODUCTION OF MONATIN ENANTIOMERS | MON2, CIAPIN1, SI | AHR 2946/4885CA1 740/4885CA4 1902/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.