Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR3 | P51677 | 1/20 | 0.67 |
| ▸ | ACHE | P22303 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | DRD2 | P14416 | 2/20 | 0.54 |
| ▸ | DRD4 | P21917 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8176746 | 0.86 | SIGMAR1 (0.62) | CCR3ACHESIGMAR1HTR1AGAA | |
| SCHEMBL2796077 | 0.85 | MC4R (0.72) | CCR3ACHEALDH1A1CXCR4SIGMAR1 | |
| SCHEMBL23270011 | 0.85 | SIGMAR1 (0.72) | CCR3ACHEALDH1A1CXCR4SIGMAR1 | |
| SCHEMBL13952 | 0.83 | SIGMAR1 (0.81) | ACHEALDH1A1SIGMAR1DRD4KDM4E | |
| SCHEMBL1777747 | 0.83 | SIGMAR1 (0.81) | ACHEALDH1A1SIGMAR1DRD4KDM4E | |
| Hydrochloric Acid SCHEMBL9633667 | 0.82 | ACHE (0.64) | CCR3ACHEALDH1A1CXCR4SIGMAR1 | |
| SCHEMBL29260004 | 0.82 | CCR3 (0.61) | CCR3ACHEALDH1A1CXCR4SIGMAR1 | |
| SCHEMBL2791000 | 0.82 | CCR3 (0.56) | CCR3ACHEALDH1A1CXCR4SIGMAR1 | |
| SCHEMBL23384237 | 0.82 | HRH3 (0.59) | CCR3ACHEALDH1A1CXCR4SIGMAR1 | |
| Ammonia Solution, Strong SCHEMBL3699405 | 0.81 | SIGMAR1 (0.77) | ACHEALDH1A1SIGMAR1DRD4KDM4E |
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-107001318-A | N- (hetero) aryl-substituted heterocyclic derivatives useful for the treatment of diseases or disorders associated with the central nervous system | 克罗诺斯治疗有限公司 | 2017-08-01 | — | — | CN | disclosed |