Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.41 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.41 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | CTSD | P07339 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4244463 | 1.00 | KMT2A (0.44) | KMT2ACYP3A4ABCC3ABCC4ABCB11 | |
| SCHEMBL4247400 | 1.00 | KMT2A (0.44) | KMT2ACYP3A4ABCC3ABCC4ABCB11 | |
| SCHEMBL4251971 | 0.83 | ACACB (0.42) | CYP3A4 | |
| SCHEMBL4251176 | 0.83 | ACACB (0.42) | CYP3A4 | |
| SCHEMBL4251973 | 0.83 | ACACB (0.42) | CYP3A4 | |
| SCHEMBL893691 | 0.79 | CYP3A4 (0.53) | KMT2ACYP3A4ABCC3ABCC4ABCB11 | |
| SCHEMBL893592 | 0.79 | CYP3A4 (0.44) | KMT2ACYP3A4ABCC3ABCC4ABCB11 | |
| SCHEMBL4399069 | 0.79 | GPR142 (0.40) | CYP3A4 | |
| SCHEMBL4255599 | 0.79 | GPR142 (0.40) | CYP3A4 | |
| SCHEMBL4247484 | 0.79 | CYP3A4 (0.38) | CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |