Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.38 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | NEK2 | P51955 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19369942 | 0.84 | FFAR1 (0.44) | CYP1A2CYP2C19ERCC1ERCC4ALDH1A1 | |
| SCHEMBL30860058 | 0.84 | ERCC1 (0.52) | ERCC1ERCC4FFAR1LMNAMAPK8 | |
| SCHEMBL200244 | 0.84 | ERCC1 (0.52) | ERCC1ERCC4FFAR1LMNAMAPK8 | |
| SCHEMBL6509671 | 0.82 | ALDH1A1 (0.46) | CYP1A2CYP2C19ALDH1A1POLBCTBP2 | |
| SCHEMBL21997278 | 0.76 | GRIA2 (0.50) | ALDH1A1GRIA2 | |
| SCHEMBL11450794 | 0.76 | POLB (0.48) | ALDH1A1POLBCTBP2FFAR1LMNA | |
| SCHEMBL910601 | 0.76 | MGLL (0.43) | CYP1A2ALDH1A1LMNAGLA | |
| SCHEMBL13905068 | 0.75 | BCL2 (0.47) | CYP1A2CYP2C19ALDH1A1LMNASLC7A5 | |
| SCHEMBL1699683 | 0.75 | CTBP2 (0.59) | ALDH1A1POLBCTBP2LMNAMAPK8 | |
| SCHEMBL13554933 | 0.75 | ENPP2 (0.44) | ALDH1A1POLBCTBP2SLC7A5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105705017-A | Co-crystal and method for producing same | 日本曹达株式会社 | 2016-06-22 | — | — | CN | disclosed |