Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TET2 | Q6N021 | 3/20 | 0.31 |
| ▸ | KDM4A | O75164 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL155485 | 0.93 | — | — | |
| SCHEMBL28110716 | 0.90 | — | — | |
| SCHEMBL28111297 | 0.90 | — | — | |
| SCHEMBL27627625 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL28110714 | 0.90 | — | — | |
| Benzene SCHEMBL27616214 | 0.88 | GPR84 (0.37) | GPR84FFAR1OR51E2TP53SMN1; SMN2 | |
| SCHEMBL27694877 | 0.86 | GPR84 (0.33) | GPR84FFAR1OR51E2TP53SMN1; SMN2 | |
| SCHEMBL11546189 | 0.86 | GPR84 (0.35) | GPR84FFAR1OR51E2TP53SMN1; SMN2 | |
| Glycolic Acid SCHEMBL28094374 | 0.84 | OR51E2 (0.39) | GPR84FFAR1OR51E2TP53SMN1; SMN2 | |
| Tetradecane SCHEMBL27553021 | 0.82 | GPR84 (0.57) | GPR84FFAR1OR51E2ALDH1A1TDP1 |
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-104744446-B | Heteroaryl compound and its application in drug | 广东东阳光药业有限公司 | 2019-06-25 | — | — | CN | disclosed |