Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL741796 | 0.91 | HPGD (0.42) | PTGS1PTGS2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL762632 | 0.85 | PTGS1 (0.53) | PTGS1PTGS2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL739128 | 0.85 | MAPK1 (0.46) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL741506 | 0.83 | MAPK1 (0.44) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL741405 | 0.83 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL765033 | 0.81 | PTGS1 (0.48) | PTGS1PTGS2CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL740770 | 0.80 | HTR2B (0.49) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL740304 | 0.80 | GRIN2B (0.50) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL740023 | 0.80 | GRIN2B (0.50) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 | |
| SCHEMBL739281 | 0.80 | POLB (0.46) | CYP1A2CYP3A4CYP2C19CYP2D6CYP2C9 |
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 |