Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 16/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.39 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL11913988 | 0.94 | MEN1 (0.39) | MEN1KMT2APMP22CYP3A4NPSR1 | |
| SCHEMBL1666846 | 0.86 | ABCB1 (0.54) | MEN1KMT2APMP22CYP3A4NPSR1 | |
| SCHEMBL11913957 | 0.86 | ABCB1 (0.54) | MEN1KMT2APMP22CYP3A4NPSR1 | |
| SCHEMBL11913991 | 0.82 | ABCB1 (0.33) | ABCB1 | |
| SCHEMBL11918305 | 0.78 | ABCB1 (0.42) | MEN1KMT2APMP22CYP3A4NPSR1 | |
| SCHEMBL11913986 | 0.76 | ABCB1 (0.42) | MEN1KMT2ACYP3A4NPSR1ABCB1 | |
| SCHEMBL11913984 | 0.75 | ABCB1 (0.61) | MEN1KMT2APMP22CYP3A4NPSR1 | |
| SCHEMBL1667026 | 0.75 | ABCB1 (0.61) | MEN1KMT2APMP22CYP3A4NPSR1 | |
| SCHEMBL1667395 | 0.62 | ABCB1 (0.74) | MEN1KMT2APMP22CYP3A4NPSR1 | |
| SCHEMBL11918299 | 0.61 | ABCB1 (0.77) | MEN1KMT2APMP22CYP3A4NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012046062-A1 | USE OF PRODRUGS TO AVOID GI MEDIATED ADVERSE EVENTS | SHIRE, LLC (US) | 2012-04-12 | — | — | WO | disclosed |