Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27778491 | 0.85 | AHR (0.35) | AHRCYP2A6NR4A2HTR2AHTR2C | |
| SCHEMBL2536694 | 0.75 | AHR (0.41) | AHRCYP2A6NR4A2HTR2AHTR2C | |
| SCHEMBL27778633 | 0.72 | AHR (0.41) | AHRCYP2A6NR4A2HTR2AHTR2C | |
| Ethoxycarbonyl Group SCHEMBL27784611 | 0.69 | ERN1 (0.35) | — | |
| SCHEMBL30993119 | 0.68 | CYP2A6 (0.41) | AHRCYP2A6NR4A2 | |
| SCHEMBL28124625 | 0.67 | — | — | |
| SCHEMBL8995163 | 0.65 | AHR (0.48) | AHRCYP2A6NR4A2CHEK1 | |
| SCHEMBL27743076 | 0.65 | BACE1 (0.42) | AHRHTR2AHTR2C | |
| SCHEMBL27799452 | 0.65 | CYP2A6 (0.38) | AHRCYP2A6NR4A2 | |
| SCHEMBL27910148 | 0.65 | HTR6 (0.36) | AHRCYP2A6NR4A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101677547-A | Indole carboxamides as the IKK2 inhibitor | SMITHKLINE BEECHAM CORP | 2010-03-24 | — | — | CN | disclosed |