Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMEL1 | Q495T6 | 3/20 | 0.38 |
| ▸ | HRH1 | P35367 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | MME | P08473 | 2/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL741162 | 0.93 | FPR2 (0.35) | HRH1CYP2D6HSD11B1ITGB1ITGA4 | |
| SCHEMBL762867 | 0.92 | HRH2 (0.37) | MMEL1HRH1ITGB3ITGA2BKMT2A | |
| SCHEMBL740290 | 0.90 | DPP4 (0.37) | HRH1CYP2D6HSD11B1KCNH2ALDH1A1 | |
| SCHEMBL740291 | 0.90 | DPP4 (0.37) | HRH1CYP2D6HSD11B1KCNH2ALDH1A1 | |
| SCHEMBL740088 | 0.89 | HRH1 (0.45) | HRH1CYP2D6KCNH2CHRM1 | |
| SCHEMBL740778 | 0.89 | MMEL1 (0.38) | MMEL1HRH1CYP2D6HSD11B1ITGB1 | |
| SCHEMBL742049 | 0.86 | HRH1 (0.35) | HRH1CYP2D6HSD11B1KCNH2ALDH1A1 | |
| SCHEMBL740312 | 0.86 | HRH1 (0.45) | HRH1CYP2D6KCNH2CHRM1 | |
| SCHEMBL739892 | 0.85 | HRH1 (0.43) | HRH1CYP2D6KCNH2CHRM1 | |
| SCHEMBL739362 | 0.85 | HRH1 (0.40) | MMEL1HRH1CYP2D6KCNH2BTK |
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 |
|---|---|---|---|---|---|---|---|
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |