Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12385 | 1.00 | HRH3 (0.49) | HRH3CYP1A2CHRM5ADRA2CTSHR | |
| SCHEMBL13002 | 0.98 | HRH3 (0.47) | HRH3CYP1A2CHRM5ADRA2CTSHR | |
| SCHEMBL31448266 | 0.93 | HRH3 (0.44) | HRH3CYP1A2POLBL3MBTL1 | |
| SCHEMBL18082807 | 0.88 | HRH3 (0.48) | HRH3CYP1A2CHRM5ADRA2CALDH1A1 | |
| SCHEMBL18082740 | 0.86 | HRH3 (0.46) | HRH3CYP1A2CHRM5ADRA2CTSHR | |
| SCHEMBL11923 | 0.85 | HRH3 (0.46) | HRH3CYP1A2CHRM5ADRA2CALDH1A1 | |
| SCHEMBL2762300 | 0.84 | GNAI3 (0.42) | HRH3L3MBTL1 | |
| SCHEMBL9379533 | 0.82 | HRH3 (0.42) | HRH3CYP1A2CHRM5ADRA2CTSHR | |
| SCHEMBL12775 | 0.79 | KDM4E (0.45) | HRH3ALDH1A1POLBMAPTLMNA | |
| SCHEMBL12449652 | 0.79 | KDM4E (0.45) | HRH3ALDH1A1POLBMAPTLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499146-B1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO SA (CH) | 2016-09-21 | — | — | EP | disclosed |
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |