Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 6/20 | 0.38 |
| ▸ | CTSS | P25774 | 5/20 | 0.38 |
| ▸ | CTSL | P07711 | 2/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 6/20 | 0.36 |
| ▸ | PPARA | Q07869 | 6/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15083181 | 1.00 | CYP1A2 (0.39) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL23157235 | 0.90 | PPARA (0.43) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL15083495 | 0.90 | PPARA (0.43) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL15083192 | 0.89 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL23056579 | 0.89 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL16310468 | 0.89 | CYP1A2 (0.38) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL15083189 | 0.87 | CTSS (0.42) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL16288237 | 0.85 | CYP1A2 (0.36) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL16288233 | 0.85 | CYP1A2 (0.36) | CYP1A2CYP2C9CYP2C19HTTCTSK | |
| SCHEMBL16288231 | 0.85 | CYP1A2 (0.36) | CYP1A2CYP2C9CYP2C19HTTCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2813512-B1 | PEPTIDE-COMPOUND CYCLIZATION METHOD | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2021-03-31 | — | — | EP | disclosed |