Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PADI1 | Q9ULC6 | 1/20 | 0.47 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 7/20 | 0.42 |
| ▸ | CTSS | P25774 | 3/20 | 0.42 |
| ▸ | CTSL | P07711 | 3/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL30556882 | 0.99 | PADI1 (0.45) | PADI1PADI4ITGB3ITGA2BCTSK | |
| SCHEMBL30191278 | 0.96 | PADI1 (0.45) | PADI1PADI4ITGB3ITGA2BCTSK | |
| SCHEMBL26121197 | 0.87 | CTSK (0.46) | ITGB3ITGA2BCTSKCTSSCTSL | |
| SCHEMBL2748877 | 0.87 | CTSK (0.46) | ITGB3ITGA2BCTSKCTSSCTSL | |
| SCHEMBL20568411 | 0.86 | CTSK (0.44) | PADI1PADI4ITGB3ITGA2BCTSK | |
| SCHEMBL20568413 | 0.86 | CTSK (0.44) | PADI1PADI4ITGB3ITGA2BCTSK | |
| SCHEMBL2054692 | 0.86 | CTSK (0.44) | PADI1PADI4ITGB3ITGA2BCTSK | |
| SCHEMBL2449068 | 0.86 | ITGB3 (0.44) | PADI1PADI4ITGB3ITGA2BCTSK | |
| SCHEMBL2449064 | 0.86 | ITGB3 (0.44) | PADI1PADI4ITGB3ITGA2BCTSK | |
| SCHEMBL5142788 | 0.86 | CTSK (0.45) | ITGB3ITGA2BCTSKCTSSCTSL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023180189-A1 | MPRO TARGETING ANTIVIRAL COMPOUNDS | EXSCIENTIA AI LIMITED (GB) | 2023-09-28 | — | — | WO | disclosed |