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 | 0.94 |
| ▸ | CA1 | P00915 | 2/20 | 0.94 |
| ▸ | CA4 | P22748 | 2/20 | 0.94 |
| ▸ | CA6 | P23280 | 2/20 | 0.94 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.94 |
| ▸ | CA2 | P00918 | 1/20 | 0.94 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.94 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.94 |
| ▸ | ITGAL | P20701 | 1/20 | 0.94 |
| ▸ | ADK | P55263 | 1/20 | 0.94 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.44 |
| ▸ | CMA1 | P23946 | 1/20 | 0.44 |
| ▸ | F7 | P08709 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | F3 | P13726 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
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 | 1.00 | AHR (0.94) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL27362939 | 1.00 | AHR (0.94) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL29559913 | 1.00 | AHR (0.94) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL28260194 | 0.97 | AHR (0.90) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL775354 | 0.97 | AHR (0.90) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL29352896 | 0.97 | — | — | |
| Indole SCHEMBL30463845 | 0.97 | — | — | |
| Indole SCHEMBL1160186 | 0.97 | AHR (1.00) | AHRCA1CA4CA6TRPA1 | |
| Indole SCHEMBL30250492 | 0.97 | — | — | |
| Indole SCHEMBL698 | 0.97 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114315829-B | Beta-carboline benzo [ c, d ] indolium salt with nitroreductase response, and preparation method and application thereof | 南通大学 | 2024-02-20 | — | — | CN | claimed |
| US-20260125645-A1 | METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS | VALORISATION HSJ LP (CA) | 2026-05-07 | — | — | US | disclosed |
| WO-2025095666-A1 | NOVEL OXOCYANINE-BASED COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF | 포항공과대학교 산학협력단 | 2025-05-08 | — | — | WO | disclosed |
| WO-2024107699-A2 | CYANINE-BASED FLUOROPHORES | THE GENERAL HOSPITAL CORPORATION (US) | 2024-05-23 | — | — | WO | disclosed |
| CN-114315829-B | Beta-carboline benzo [ c, d ] indolium salt with nitroreductase response, and preparation method and application thereof | 南通大学 | 2024-02-20 | — | — | CN | disclosed |
| CN-107635544-B | Single layer tooth whitening system | 皇家飞利浦有限公司 | 2023-04-28 | — | — | CN | disclosed |
| CN-113666939-B | Photochromic compound and preparation method and application thereof | 康赛妮集团有限公司 | 2022-11-25 | — | — | CN | disclosed |
| EP-1325008-A1 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-07-09 | — | — | EP | disclosed |
| WO-2002010169-A1 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-07 | — | — | 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 (1 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-20260125645-A1 | METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS | HTR1F, HTR1A, HTR1D | AHR 26/4885CA1 4825/4885CA4 4873/4885 |
“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.