Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | SLC18A3 | Q16572 | 4/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PRCP | P42785 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28765385 | 0.81 | SLC18A3 (0.50) | SLC18A3SIGMAR1ALDH1A1 | |
| SCHEMBL27498941 | 0.76 | KCNH2 (0.60) | KCNH2HRH3SLC18A3OPRM1SIGMAR1 | |
| SCHEMBL27730027 | 0.75 | RAD52 (0.49) | ALDH1A1 | |
| SCHEMBL27730018 | 0.74 | RIPK1 (0.46) | ALDH1A1 | |
| SCHEMBL27786027 | 0.73 | SLC18A3 (0.46) | KCNH2HRH3SLC18A3OPRM1SIGMAR1 | |
| SCHEMBL6190526 | 0.72 | KCNH2 (0.51) | KCNH2HRH3SLC18A3OPRM1SIGMAR1 | |
| SCHEMBL753850 | 0.72 | LMNA (0.63) | KCNH2HRH3SLC18A3OPRM1SIGMAR1 | |
| SCHEMBL16253745 | 0.72 | KCNH2 (0.55) | KCNH2HRH3SLC18A3OPRM1SIGMAR1 | |
| SCHEMBL16255639 | 0.71 | KCNH2 (0.54) | KCNH2HRH3SLC18A3OPRM1SIGMAR1 | |
| SCHEMBL28714355 | 0.71 | SLC18A3 (0.49) | KCNH2HRH3SLC18A3OPRM1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101679275-B | Isocarbostyril derivative and its pharmaceutical uses | ASTRAZENECA AB | 2013-07-31 | — | — | CN | disclosed |
| CN-101679275-A | New compounds 707 and their uses | ASTRAZENECA AB | 2010-03-24 | — | — | CN | disclosed |
| CN-101365686-A | Heterocyclic derivatives as modulators of ion channels | VERTEX PHARMA (US) | 2009-02-11 | — | — | CN | disclosed |
| CN-101048418-A | PI 3-kinase | BOEHRINGER INGELHEIM INT (DE) | 2007-10-03 | — | — | CN | disclosed |