Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.37 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.37 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18082747 | 0.90 | CYP1A2 (0.39) | CYP1A2HRH3NPC1CARM1PRMT6 | |
| SCHEMBL22297375 | 0.83 | TP53 (0.38) | HRH3NPC1CARM1PRMT6KCNH2 | |
| SCHEMBL18082729 | 0.83 | HRH3 (0.41) | CYP1A2HRH3NPC1CARM1PRMT6 | |
| SCHEMBL12424 | 0.81 | KDM4E (0.44) | HRH3ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL12449684 | 0.81 | KDM4E (0.44) | HRH3ALDH1A1KMT2ALMNAMAPT | |
| SCHEMBL27097487 | 0.80 | CYP1A2 (0.42) | CYP1A2NPC1CHRM5ADRA2CALDH1A1 | |
| SCHEMBL12714801 | 0.80 | DRD2 (0.47) | HRH3 | |
| SCHEMBL18082884 | 0.79 | BCHE (0.41) | CARM1PRMT6MEN1KMT2A | |
| SCHEMBL23158162 | 0.78 | LMNA (0.35) | HRH3NPC1CARM1PRMT6PRMT8 | |
| SCHEMBL4569263 | 0.78 | SLC18A3 (0.43) | HRH3CARM1PRMT6ALDH1A1KMT2A |
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 |