Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.64 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.64 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
| ▸ | PGR | P06401 | 1/20 | 0.64 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.64 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.64 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.64 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.64 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.64 |
| ▸ | HTR2B | P41595 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.64 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | SDCBP | O00560 | 2/20 | 0.36 |
| ▸ | SDC2 | P34741 | 2/20 | 0.36 |
| ▸ | REN | P00797 | 3/20 | 0.35 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL9943748 | 1.00 | CYP3A4 (0.64) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL9943746 | 1.00 | CYP3A4 (0.64) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL9943725 | 0.84 | CYP3A4 (0.77) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL9943595 | 0.84 | CYP3A4 (0.77) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL4245489 | 0.84 | CYP3A4 (0.77) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL9943769 | 0.83 | CYP3A4 (0.54) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL9943771 | 0.83 | CYP3A4 (0.54) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL21425157 | 0.83 | CYP3A4 (0.63) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL4174124 | 0.83 | CYP3A4 (0.60) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL5385947 | 0.81 | CYP3A4 (0.59) | CYP3A4ABCC3ABCC4ABCB11PGR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2465856-A2 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |