Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CLK1 | P49759 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3247289 | 0.88 | MTNR1B (0.46) | ALDH1A1MAPTHTTCLK1NPSR1 | |
| SCHEMBL1147923 | 0.87 | KCNH2 (0.54) | KCNH2ALDH1A1MAPTHTTCLK1 | |
| SCHEMBL3250106 | 0.86 | KCNH2 (0.47) | KCNH2ALDH1A1MAPTMTNR1AMTNR1B | |
| SCHEMBL3251533 | 0.85 | KCNH2 (0.49) | KCNH2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL3252106 | 0.81 | KCNH2 (0.46) | KCNH2ALDH1A1MTNR1AMTNR1BMEN1 | |
| SCHEMBL3244126 | 0.77 | KCNH2 (0.49) | KCNH2ALDH1A1MAPTHTTCLK1 | |
| SCHEMBL3687390 | 0.77 | KCNH2 (0.74) | KCNH2 | |
| SCHEMBL3688156 | 0.77 | KCNH2 (0.74) | KCNH2 | |
| SCHEMBL3688159 | 0.77 | KCNH2 (0.74) | KCNH2 | |
| SCHEMBL3252295 | 0.75 | CYP2C9 (0.44) | ALDH1A1MAPTMTNR1AMTNR1BKMT2A |
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-2001478-B1 | CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2010-06-02 | — | — | EP | claimed |