Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL31098615 | 0.98 | HRH1 (0.43) | HRH1ALDH1A1SMN1; SMN2KDM4EADRA2A | |
| Ethoxycarbonyl Group SCHEMBL27921478 | 0.87 | ALDH1A1 (0.44) | HRH1ALDH1A1SMN1; SMN2KDM4EHRH3 | |
| Piconol SCHEMBL27751021 | 0.84 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2KDM4EADRA2AADRA2B | |
| Ethoxycarbonyl Group SCHEMBL28008230 | 0.84 | HRH3 (0.45) | HRH1ALDH1A1SMN1; SMN2KDM4EHRH3 | |
| Ethoxycarbonyl Group SCHEMBL27643456 | 0.81 | HRH3 (0.42) | HRH1ALDH1A1SMN1; SMN2KDM4EHRH3 | |
| Propane SCHEMBL28029636 | 0.80 | HRH1 (0.65) | HRH1ALDH1A1SMN1; SMN2KDM4EHRH3 | |
| 2-Aminopyridine SCHEMBL27810269 | 0.80 | NOS3 (0.55) | ALDH1A1SMN1; SMN2KDM4EADRA2AADRA2B | |
| Formic Acid SCHEMBL28116743 | 0.79 | HRH1 (0.53) | HRH1ALDH1A1SMN1; SMN2KDM4EPARP10 | |
| Butane SCHEMBL28029286 | 0.79 | HRH1 (0.57) | HRH1ALDH1A1SMN1; SMN2HRH3LMNA | |
| SCHEMBL10672099 | 0.78 | HRH1 (0.67) | HRH1ALDH1A1SMN1; SMN2HRH3LMNA |
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-105085429-A | Heteroaromatic derivative and application thereof to medicament | GUANGDONG HEC PHARMACEUTICAL | 2015-11-25 | — | — | CN | disclosed |