Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA3 | P22001 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 6/20 | 0.41 |
| ▸ | DRD4 | P21917 | 6/20 | 0.41 |
| ▸ | DRD3 | P35462 | 5/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23271737 | 1.00 | KCNA3 (0.42) | KCNA3TDP1CYP2A6DRD2DRD4 | |
| SCHEMBL23271651 | 0.87 | KCNA3 (0.51) | KCNA3TDP1DRD2DRD4DRD3 | |
| SCHEMBL30003180 | 0.87 | KCNA3 (0.51) | KCNA3TDP1DRD2DRD4DRD3 | |
| SCHEMBL30003120 | 0.87 | CYP2A6 (0.39) | TDP1CYP2A6KDM4EMAPTLMNA | |
| SCHEMBL23271740 | 0.87 | CYP2A6 (0.39) | TDP1CYP2A6KDM4EMAPTLMNA | |
| SCHEMBL23089920 | 0.85 | CYP2A6 (0.40) | TDP1CYP2A6KDM4EMAPTALDH1A1 | |
| SCHEMBL29368618 | 0.85 | CYP2A6 (0.40) | TDP1CYP2A6KDM4EMAPTALDH1A1 | |
| SCHEMBL23271868 | 0.84 | DRD2 (0.45) | KCNA3DRD2DRD4DRD3GRIN2D | |
| SCHEMBL30003363 | 0.84 | DRD2 (0.45) | KCNA3DRD2DRD4DRD3GRIN2D | |
| SCHEMBL23271672 | 0.84 | ACHE (0.38) | TDP1CYP2A6HTR1AHTR2AHTR7 |
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-110891980-B | Radical polymerization control agent and radical polymerization control method | 川崎化成工业株式会社 | 2022-09-30 | — | — | CN | disclosed |