Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
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 | 4/20 | 0.63 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.63 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.63 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.63 |
| ▸ | ITGAL | P20701 | 1/20 | 0.63 |
| ▸ | CA4 | P22748 | 1/20 | 0.63 |
| ▸ | CA6 | P23280 | 1/20 | 0.63 |
| ▸ | ADK | P55263 | 1/20 | 0.63 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.38 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 SCHEMBL2884198 | 0.92 | AHR (0.74) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28087845 | 0.90 | AHR (0.77) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28274753 | 0.86 | TRPA1 (0.71) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL5446220 | 0.85 | AHR (0.68) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28274751 | 0.85 | AHR (0.68) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL29009234 | 0.83 | AHR (0.65) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL6791278 | 0.82 | AHR (0.85) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL1475203 | 0.82 | AHR (0.94) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL6925060 | 0.81 | TRPA1 (0.63) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL15641723 | 0.81 | TRPA1 (0.63) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115504924-A | Hydrazino-pyrrolo compounds and methods for forming conjugates | 雷德伍德生物科技股份有限公司 | 2022-12-23 | — | — | CN | disclosed |
| CN-105744935-B | Hydrazino-pyrrolo compounds and methods for forming conjugates | 雷德伍德生物科技股份有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-105744935-A | Hydrazino-pyrrolo compounds and methods for forming conjugates | 雷德伍德生物科技股份有限公司 | 2016-07-06 | — | — | CN | disclosed |