Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 5/20 | 0.40 |
| ▸ | AURKA | O14965 | 2/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.33 |
| ▸ | CCR9 | P51686 | 1/20 | 0.33 |
| ▸ | TNF | P01375 | 1/20 | 0.33 |
| ▸ | LITAF | Q99732 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL14875587 | 1.00 | KCNH2 (0.44) | KCNH2CHRM1CYP2C9ALOX5ESR1 | |
| SCHEMBL14884895 | 1.00 | KCNH2 (0.44) | KCNH2CHRM1CYP2C9ALOX5ESR1 | |
| SCHEMBL14875586 | 1.00 | KCNH2 (0.44) | KCNH2CHRM1CYP2C9ALOX5ESR1 | |
| SCHEMBL14888022 | 1.00 | KCNH2 (0.44) | KCNH2CHRM1CYP2C9ALOX5ESR1 | |
| SCHEMBL14875335 | 0.94 | CHRM1 (0.40) | KCNH2CHRM1CYP2C9ALOX5ESR1 | |
| SCHEMBL7909734 | 0.94 | CHRM1 (0.40) | KCNH2CHRM1CYP2C9ALOX5ESR1 | |
| SCHEMBL15107479 | 0.94 | CHRM1 (0.40) | KCNH2CHRM1CYP2C9ALOX5ESR1 | |
| SCHEMBL15108042 | 0.94 | CHRM1 (0.40) | KCNH2CHRM1CYP2C9ALOX5ESR1 | |
| SCHEMBL7908271 | 0.94 | ESR1 (0.42) | KCNH2CHRM1CYP2C9ALOX5ESR1 | |
| SCHEMBL15108055 | 0.94 | ESR1 (0.42) | KCNH2CHRM1CYP2C9ALOX5ESR1 |
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-2010096338-A1 | PYRAZOLO [4,3-c] CINNOLIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2010-08-26 | — | — | WO | disclosed |