Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 8/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.43 |
| ▸ | CNR2 | P34972 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL739730 | 1.00 | KCNH2 (0.52) | KCNH2CYP3A4ALDH1A1LMNATSHR | |
| SCHEMBL740851 | 0.92 | USP2 (0.49) | KCNH2HRH1CYP2D6USP2POLB | |
| SCHEMBL740852 | 0.92 | USP2 (0.49) | KCNH2HRH1CYP2D6USP2POLB | |
| SCHEMBL739454 | 0.90 | KCNH2 (0.51) | KCNH2CYP3A4ALDH1A1LMNATSHR | |
| SCHEMBL739455 | 0.90 | KCNH2 (0.51) | KCNH2CYP3A4ALDH1A1LMNATSHR | |
| SCHEMBL739836 | 0.90 | HRH1 (0.47) | KCNH2HRH1CYP2D6USP2POLB | |
| SCHEMBL742623 | 0.90 | HRH1 (0.47) | KCNH2HRH1CYP2D6USP2POLB | |
| SCHEMBL739835 | 0.90 | HRH1 (0.47) | KCNH2HRH1CYP2D6USP2POLB | |
| SCHEMBL742622 | 0.90 | HRH1 (0.47) | KCNH2HRH1CYP2D6USP2POLB | |
| SCHEMBL739105 | 0.88 | HRH1 (0.43) | KCNH2ALDH1A1HTTHRH1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | claimed |
| US-8138168-B1 | Renin inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-20 | — | — | US | disclosed |