Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 6/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | TNKS | O95271 | 2/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL741843 | 0.85 | PTGS1 (0.51) | PTGS1PTGS2PARP1CYP1A2CYP3A4 | |
| SCHEMBL765033 | 0.84 | PTGS1 (0.48) | PTGS1PTGS2PARP1CYP1A2CYP3A4 | |
| SCHEMBL762543 | 0.78 | CYP2D6 (0.36) | PARP1CYP2D6SMN1; SMN2HPGDTNKS | |
| SCHEMBL742573 | 0.78 | GRIN2B (0.49) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL762987 | 0.76 | HTR2B (0.42) | SMN1; SMN2KMT2AMAPTKDM4EMAPK1 | |
| SCHEMBL762546 | 0.76 | KCNH2 (0.37) | PARP1CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL741796 | 0.76 | HPGD (0.42) | PTGS1PTGS2PARP1CYP1A2CYP3A4 | |
| SCHEMBL10292147 | 0.76 | MAPK1 (0.41) | PTGS1PTGS2PARP1CYP1A2CYP3A4 | |
| SCHEMBL762541 | 0.75 | HRH1 (0.38) | CYP2D6SMN1; SMN2TP53 | |
| SCHEMBL743449 | 0.72 | PTGS1 (0.57) | PTGS1PTGS2PARP1KDM4EHCRTR1 |
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 |