Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.39 |
| ▸ | FABP4 | P15090 | 10/20 | 0.34 |
| ▸ | FABP5 | Q01469 | 10/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | FABP3 | P05413 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2128650 | 1.00 | CYP3A4 (0.57) | CYP3A4CRBNFABP4FABP5KDM4E | |
| SCHEMBL2130343 | 0.93 | CYP3A4 (0.57) | CYP3A4CRBNHPGDBRD4CHEK1 | |
| SCHEMBL1543477 | 0.93 | CYP3A4 (0.57) | CYP3A4CRBNHPGDBRD4CHEK1 | |
| SCHEMBL2127429 | 0.92 | CYP3A4 (0.57) | CYP3A4CRBNFABP4FABP5PTPN5 | |
| SCHEMBL1542277 | 0.92 | CYP3A4 (0.57) | CYP3A4CRBNFABP4FABP5PTPN5 | |
| SCHEMBL2127426 | 0.87 | CYP3A4 (0.76) | CYP3A4CRBNFABP4FABP5PTPN5 | |
| SCHEMBL1542807 | 0.87 | CYP3A4 (0.76) | CYP3A4CRBNFABP4FABP5PTPN5 | |
| SCHEMBL2127697 | 0.86 | CYP3A4 (0.75) | CYP3A4CRBNBRD4 | |
| SCHEMBL2127702 | 0.86 | CYP3A4 (0.75) | CYP3A4CRBNBRD4 | |
| SCHEMBL2487208 | 0.86 | CYP3A4 (0.56) | CYP3A4CRBNFABP4FABP5PTPN5 |
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-2307372-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2012-04-25 | — | — | EP | claimed |