Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD5 | P21918 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL7047070 | 0.83 | ALDH1A1 (0.64) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL23775495 | 0.81 | ABCB1 (0.43) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL30305200 | 0.81 | ABCB1 (0.43) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL7048567 | 0.77 | JAK2 (0.46) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL30924101 | 0.72 | EPHX2 (0.59) | EPHX2GPR119 | |
| SCHEMBL7046882 | 0.71 | JAK2 (0.39) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL30791546 | 0.71 | SETDB1 (0.53) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL23755099 | 0.71 | SETDB1 (0.44) | ALDH1A1JAK2JAK1TYK2JAK3 | |
| SCHEMBL7050252 | 0.70 | ALDH1A1 (0.79) | ALDH1A1 | |
| SCHEMBL24837810 | 0.70 | TRPV1 (0.42) | ALDH1A1DRD2HPGDTSHRKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0773955-B1 | NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE | BASF AG (DE) | 2003-04-16 | — | — | EP | disclosed |
| WO-1995035309-A1 | NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 1995-12-28 | — | — | WO | disclosed |