Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL741843 | 0.91 | PTGS1 (0.51) | HPGDMAPK1TP53PTGS1PTGS2 | |
| SCHEMBL739128 | 0.83 | MAPK1 (0.46) | MAPK1ALDH1A1USP2CYP1A2CYP3A4 | |
| SCHEMBL10292147 | 0.83 | MAPK1 (0.41) | HPGDMAPK1TP53PTGS1PTGS2 | |
| SCHEMBL741405 | 0.81 | CYP1A2 (0.42) | MAPK1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL741506 | 0.81 | MAPK1 (0.44) | MAPK1ALDH1A1USP2CYP1A2CYP3A4 | |
| SCHEMBL739598 | 0.81 | HRH1 (0.35) | TP53ALDH1A1CYP2D6THRBPPARA | |
| SCHEMBL740770 | 0.79 | HTR2B (0.49) | MAPK1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL741454 | 0.78 | HRH1 (0.36) | ALDH1A1CYP3A4CYP2D6PPARATSHR | |
| SCHEMBL740023 | 0.78 | GRIN2B (0.50) | HPGDMAPK1USP2CYP1A2CYP3A4 | |
| SCHEMBL740304 | 0.78 | GRIN2B (0.50) | HPGDMAPK1USP2CYP1A2CYP3A4 |
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 |