Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.48 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1147433 | 0.88 | KCNH2 (0.53) | KCNH2ALDH1A1NPC1TP53RAB9A | |
| SCHEMBL3249988 | 0.86 | KCNH2 (0.48) | KCNH2SLC2A1ALDH1A1NPC1TP53 | |
| SCHEMBL3255856 | 0.85 | KCNH2 (0.47) | KCNH2SLC2A1ALDH1A1NPC1TP53 | |
| SCHEMBL3256694 | 0.83 | KCNH2 (0.49) | KCNH2SLC2A1ALDH1A1NPC1TP53 | |
| SCHEMBL3251533 | 0.81 | KCNH2 (0.49) | KCNH2ALDH1A1NPC1TP53RAB9A | |
| SCHEMBL3246763 | 0.80 | KCNH2 (0.47) | KCNH2ALDH1A1NPC1TP53RAB9A | |
| SCHEMBL3252259 | 0.77 | MAPT (0.41) | ALDH1A1NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL1147478 | 0.76 | KCNH2 (0.54) | KCNH2NPC1SMN1; SMN2MAPTMEN1 | |
| SCHEMBL3250680 | 0.75 | KCNH2 (0.41) | KCNH2SLC2A1 | |
| SCHEMBL3250684 | 0.75 | KCNH2 (0.41) | KCNH2SLC2A1 |
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 |