Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | TAF1 | P21675 | 1/20 | 0.30 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.30 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.30 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.30 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2536694 | 0.81 | AHR (0.41) | AHRCYP2A6NR4A2PIM3CHEK1 | |
| SCHEMBL28783304 | 0.75 | AHR (0.45) | AHRCYP2A6NR4A2PIM3CSNK2A1 | |
| SCHEMBL8995163 | 0.74 | AHR (0.48) | AHRCYP2A6NR4A2PIM3CHEK1 | |
| SCHEMBL27778491 | 0.74 | AHR (0.35) | AHRCYP2A6NR4A2PIM3CHEK1 | |
| SCHEMBL26389475 | 0.72 | AHR (0.47) | AHRCYP2A6NR4A2PIM3CSNK2A1 | |
| SCHEMBL27778480 | 0.72 | AHR (0.33) | AHRCYP2A6NR4A2CHEK1HTR2A | |
| SCHEMBL2380876 | 0.71 | AHR (0.45) | AHRCYP2A6NR4A2PIM3CHEK1 | |
| SCHEMBL3584001 | 0.71 | AHR (0.45) | AHRCYP2A6NR4A2PIM3CSNK2A1 | |
| SCHEMBL564695 | 0.71 | AHR (0.50) | AHRCYP2A6NR4A2PIM3CSNK2A1 | |
| SCHEMBL120501 | 0.71 | AHR (0.45) | AHRCYP2A6NR4A2PIM3CSNK2A1 |
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 |