Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 7/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | PRCP | P42785 | 1/20 | 0.42 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL739281 | 0.93 | POLB (0.46) | HTR2BPOLBKDM4EMAPK1CYP1A2 | |
| SCHEMBL740304 | 0.93 | GRIN2B (0.50) | HTR2BPOLBKDM4EMAPK1CYP1A2 | |
| SCHEMBL740023 | 0.93 | GRIN2B (0.50) | HTR2BPOLBKDM4EMAPK1CYP1A2 | |
| SCHEMBL740091 | 0.83 | HTR2B (0.56) | HTR2BPOLBKDM4EMAPK1CYP1A2 | |
| SCHEMBL740090 | 0.83 | HTR2B (0.56) | HTR2BPOLBKDM4EMAPK1CYP1A2 | |
| SCHEMBL739128 | 0.83 | MAPK1 (0.46) | POLBKDM4EMAPK1CYP1A2CYP3A4 | |
| SCHEMBL741405 | 0.81 | CYP1A2 (0.42) | POLBKDM4EMAPK1CYP1A2CYP3A4 | |
| SCHEMBL741506 | 0.81 | MAPK1 (0.44) | POLBKDM4EMAPK1CYP1A2CYP3A4 | |
| SCHEMBL743205 | 0.81 | HTR2B (0.53) | HTR2BPOLBKDM4EMAPK1CYP1A2 | |
| SCHEMBL763190 | 0.81 | HTR2B (0.47) | HTR2BPOLBKDM4EMAPK1CYP1A2 |
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 |