Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.49 |
| ▸ | KDM1A | O60341 | 5/20 | 0.46 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 6/20 | 0.38 |
| ▸ | MAOB | P27338 | 6/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14627075 | 1.00 | HRH3 (0.49) | HRH3KDM1AKIF11KCNH2CHRNA7 | |
| SCHEMBL17086699 | 1.00 | HRH3 (0.49) | HRH3KDM1AKIF11KCNH2CHRNA7 | |
| SCHEMBL14213478 | 1.00 | HRH3 (0.49) | HRH3KDM1AKIF11KCNH2CHRNA7 | |
| SCHEMBL8037056 | 0.88 | KDM1A (0.51) | HRH3KDM1AKIF11KCNH2CHRNA7 | |
| SCHEMBL8025619 | 0.88 | KDM1A (0.51) | HRH3KDM1AKIF11KCNH2CHRNA7 | |
| SCHEMBL24780648 | 0.83 | SLC6A2 (0.38) | HRH3HTR2CCYP2C19CYP1A2CYP2C9 | |
| SCHEMBL22962229 | 0.81 | MAOB (0.52) | HRH3KDM1AKIF11KCNH2HTR2C | |
| SCHEMBL18022013 | 0.81 | MAOB (0.52) | HRH3KDM1AKIF11KCNH2HTR2C | |
| SCHEMBL14213465 | 0.79 | HRH3 (0.48) | HRH3KDM1AKIF11KCNH2CHRNA7 | |
| SCHEMBL14591980 | 0.79 | KDM1A (0.45) | HRH3KDM1AKIF11KCNH2CHRNA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020046966-A1 | TREATMENT OF ADENOCARCINOMAS WITH MAPK PATHWAY INHIBITORS | KURA ONCOLOGY, INC. (US) | 2020-03-05 | — | — | WO | disclosed |