Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | REN | P00797 | 1/20 | 0.35 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | ANPEP | P15144 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9943670 | 0.91 | CYP3A4 (0.39) | CYP3A4CYP2D6CYP2C9CYP2C19REN | |
| SCHEMBL9943681 | 0.91 | REN (0.39) | CYP3A4CYP2D6CYP2C9CYP2C19REN | |
| SCHEMBL9943653 | 0.88 | HDAC3 (0.40) | PAX8CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9943461 | 0.79 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL893112 | 0.75 | CYP3A4 (0.57) | CCR6PAX8CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9943555 | 0.75 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL893726 | 0.73 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL893063 | 0.73 | CYP3A4 (0.59) | CCR6PAX8CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11919241 | 0.72 | CCR6 (0.60) | CCR6PAX8CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9943695 | 0.72 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2465856-A2 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | claimed |
| EP-2465855-A1 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |
| EP-2465856-A2 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |