Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.38 |
| ▸ | LPAR5 | Q9H1C0 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL893411 | 0.96 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL9943481 | 0.94 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL9943899 | 0.90 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL893151 | 0.90 | CYP3A4 (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL4252360 | 0.85 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL893098 | 0.85 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL4390638 | 0.84 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL893530 | 0.84 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL893829 | 0.83 | CYP3A4 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL4248044 | 0.83 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 |
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 7 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-2081917-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | Abbott Laboratories (US) | 2009-07-29 | — | — | EP | claimed |
| WO-2008027932-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-03-06 | — | — | WO | claimed |
| EP-2465856-A2 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |
| EP-2465855-A1 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |
| EP-2081917-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | Abbott Laboratories (US) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008027932-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-03-06 | — | — | WO | disclosed |