Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | OSBP | P22059 | 3/20 | 0.53 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.53 |
| ▸ | RORC | P51449 | 1/20 | 0.53 |
| ▸ | INPP5D | Q92835 | 1/20 | 0.53 |
| ▸ | OSBP2 | Q969R2 | 1/20 | 0.51 |
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.50 |
| ▸ | EPHA2 | P29317 | 2/20 | 0.50 |
| ▸ | EFNA1 | P20827 | 1/20 | 0.50 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.50 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.50 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.50 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.50 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.50 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL133952 | 0.91 | CYP2D6 (0.65) | CYP2D6CYP2C19OSBPINPP5DOSBP2 | |
| SCHEMBL3447573 | 0.91 | CYP2D6 (0.65) | CYP2D6CYP2C19OSBPINPP5DOSBP2 | |
| SCHEMBL9224303 | 0.91 | CYP2D6 (0.65) | CYP2D6CYP2C19OSBPINPP5DOSBP2 | |
| SCHEMBL28408 | 0.91 | CYP2D6 (0.65) | CYP2D6CYP2C19OSBPINPP5DOSBP2 | |
| Water SCHEMBL4949873 | 0.90 | CYP2D6 (0.64) | CYP2D6CYP2C19OSBPINPP5DOSBP2 | |
| Methoxymethane SCHEMBL4786442 | 0.88 | CYP2D6 (0.61) | CYP2D6CYP2C19OSBPINPP5DOSBP2 | |
| SCHEMBL28429630 | 0.88 | CYP2D6 (0.53) | CYP2D6CYP2C19OSBPINPP5DOSBP2 | |
| SCHEMBL5028921 | 0.87 | CYP2D6 (0.52) | CYP2D6CYP2C19OSBPINPP5DOSBP2 | |
| SCHEMBL8080693 | 0.86 | GPBAR1 (0.54) | CYP2D6CYP2C19OSBPINPP5DOSBP2 | |
| SCHEMBL28529379 | 0.86 | OSBP (0.70) | CYP2D6CYP2C19OSBPNR1H3RORC |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8137977-B2 | Lipidomic approaches to determining drug response phenotypes in cardiovascular disease | CHILDREN'S HOSPITAL & RESEARCH CENTER AT OAKLAND (US) | 2012-03-20 | — | — | US | disclosed |
| US-20090197242-A1 | Lipidomic Approaches to Determining Drug Response Phenotypes in Cardiovascular Disease | MONROE CAPITAL MANAGEMENT ADVISORS, LLC, AS ADMINISTRATIVE AGENT | 2009-08-06 | — | — | US | disclosed |