Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28592408 | 0.79 | CYP2A6 (0.47) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL21742825 | 0.76 | PTGS2 (0.54) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL5796609 | 0.75 | KDM4E (0.39) | CYP2A6ALDH1A1CYP1A2NPY5R | |
| SCHEMBL21742648 | 0.72 | PARP10 (0.48) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL9958033 | 0.72 | ALDH1A1 (0.47) | CYP2A6CYP3A4CYP2C9CYP2B6CYP2C19 | |
| SCHEMBL10416386 | 0.72 | MAPT (0.40) | CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL23071560 | 0.71 | CYP2A6 (0.50) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL21742767 | 0.70 | CYP2A6 (0.54) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL8879482 | 0.70 | CYP2A6 (0.49) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL982200 | 0.70 | ALDH1A1 (0.33) | CYP2A6CYP2B6ALDH1A1CYP1A2 |
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-2006033995-A2 | THIAZOLIDIN-4-ONES HAVING ANTI-HEPATITIS B ACTIVITY | VALEANT RESEARCH AND DEVELOPMENT (US) | 2006-03-30 | — | — | WO | disclosed |