Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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 | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.53 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.53 |
| ▸ | ITGAL | P20701 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | AHR | P35869 | 1/20 | 0.53 |
| ▸ | ADK | P55263 | 1/20 | 0.53 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 5/20 | 0.42 |
| ▸ | WNT3A | P56704 | 5/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 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 SCHEMBL17536617 | 1.00 | TRPA1 (0.53) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL30530600 | 1.00 | TRPA1 (0.53) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28021734 | 0.97 | TRPA1 (0.53) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28113892 | 0.85 | TRPA1 (0.59) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL412813 | 0.84 | TRPA1 (0.57) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL14576775 | 0.83 | TRPA1 (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL30285645 | 0.83 | CA1 (0.71) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL17536616 | 0.83 | TRPA1 (0.55) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL17536619 | 0.83 | TRPA1 (0.55) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28154294 | 0.83 | TRPA1 (0.55) | TRPA1CA1CA2ITGB2ICAM1 |
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-107889834-A | A kind of special root-growing agent of a cypress | 龚贤飞 | 2018-04-10 | — | — | CN | claimed |
| CN-107889834-A | A kind of special root-growing agent of a cypress | 龚贤飞 | 2018-04-10 | — | — | CN | disclosed |
| CN-107889834-A | A kind of special root-growing agent of a cypress | 龚贤飞 | 2018-04-10 | — | — | CN | disclosed |