Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | BCR | P11274 | 1/20 | 0.35 |
| ▸ | CYP8B1 | Q9UNU6 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5517583 | 1.00 | KCNH2 (0.44) | KCNH2KDM4EPOLBCYP1A2CYP3A4 | |
| SCHEMBL633007 | 0.81 | KCNH2 (0.50) | KCNH2MAP4K4ABL1CYP8B1 | |
| SCHEMBL5636821 | 0.76 | KCNH2 (0.57) | KCNH2MAP4K4 | |
| SCHEMBL5775818 | 0.75 | MAP4K4 (0.45) | KCNH2KDM4EPOLBMEN1KMT2A | |
| SCHEMBL4512253 | 0.74 | KCNH2 (0.49) | KCNH2NPC1RAB9A | |
| SCHEMBL4512584 | 0.74 | KCNH2 (0.45) | KCNH2MEN1KMT2ACYP8B1 | |
| SCHEMBL4269605 | 0.73 | KCNH2 (0.45) | KCNH2LMNA | |
| SCHEMBL5509547 | 0.72 | CYP2C9 (0.45) | KCNH2KDM4EMEN1KMT2ANPC1 | |
| SCHEMBL5747110 | 0.71 | KCNH2 (0.44) | KCNH2MAP4K4 | |
| SCHEMBL5748598 | 0.71 | KCNH2 (0.44) | KCNH2MAP4K4 |
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-1799676-A2 | NEW BICYCLIC ANTIBIOTICS | Actelion Pharmaceuticals Ltd. (CH) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006032466-A2 | NEW BICYCLIC ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-03-30 | — | — | WO | disclosed |