Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GCGR | P47871 | 3/20 | 0.41 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ANO1 | Q5XXA6 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CDK8 | P49336 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5879714 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL5879676 | 0.93 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL5879674 | 0.93 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL5879907 | 0.91 | LMNA (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL5879910 | 0.91 | LMNA (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL5880163 | 0.90 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL5880161 | 0.90 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL5879898 | 0.90 | NPSR1 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL5879894 | 0.90 | NPSR1 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19NPSR1 | |
| SCHEMBL6372985 | 0.89 | ENPP3 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19NPSR1 |
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-7026339-B2 | Inhibitors of HCV NS5B polymerase | PFIZER INC. | 2006-04-11 | — | — | US | disclosed |