Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | VNN1 | O95497 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | LDHA | P00338 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | UBE2M | P61081 | 1/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4338180 | 1.00 | CYP2A6 (0.38) | CYP2A6CYP3A4KDM4EPOLBMAPT | |
| SCHEMBL4343237 | 0.86 | SIGMAR1 (0.51) | CYP2A6CYP3A4KDM4EPOLBMAPT | |
| SCHEMBL4329107 | 0.84 | ALDH1A1 (0.45) | CYP2A6CYP3A4KDM4EPOLBMAPT | |
| SCHEMBL4333822 | 0.83 | ALDH1A1 (0.50) | CYP2A6CYP3A4KDM4EPOLBMAPT | |
| SCHEMBL4334594 | 0.83 | MAPT (0.46) | CYP2A6CYP3A4KDM4EPOLBMAPT | |
| SCHEMBL4338798 | 0.83 | CYP2A6 (0.48) | CYP2A6CYP3A4KDM4EPOLBMAPT | |
| SCHEMBL4333786 | 0.82 | SLC9A1 (0.38) | CYP2A6CYP3A4POLBMAPTALDH1A1 | |
| SCHEMBL4331909 | 0.81 | CYP2A6 (0.43) | CYP2A6CYP3A4KDM4EPOLBMAPT | |
| SCHEMBL4329428 | 0.81 | CYP2A6 (0.43) | CYP2A6CYP3A4KDM4EPOLBMAPT | |
| SCHEMBL4340661 | 0.81 | CYP2A6 (0.42) | CYP2A6CYP3A4KDM4EPOLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-7521062-B2 | Thiosemicarbazones as anti-virals and immunopotentiators | NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) | 2009-04-21 | — | — | US | disclosed |