Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | PGK2 | P07205 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27788777 | 0.81 | KCNH2 (0.36) | KCNH2LMNA | |
| SCHEMBL28659624 | 0.81 | KCNH2 (0.40) | KCNH2LMNAPGK1PGK2NPSR1 | |
| SCHEMBL27600750 | 0.78 | BACE1 (0.39) | KCNH2LMNA | |
| SCHEMBL5924102 | 0.78 | SMN1; SMN2 (0.41) | KCNH2CCR1 | |
| SCHEMBL28119095 | 0.78 | CYP3A4 (0.38) | KCNH2LMNA | |
| SCHEMBL28072140 | 0.78 | CCR1 (0.36) | KCNH2CCR1LMNA | |
| SCHEMBL245158 | 0.77 | CCR1 (0.55) | KCNH2CCR1LMNAPGK1PGK2 | |
| SCHEMBL28332129 | 0.75 | KDM1A (0.40) | KCNH2 | |
| Bromide SCHEMBL1259355 | 0.75 | CCR1 (0.52) | KCNH2CCR1LMNAPGK1PGK2 | |
| SCHEMBL2082787 | 0.75 | KCNH2 (0.44) | KCNH2CCR1LMNANPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109843891-A | Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors | 勃林格殷格翰国际有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-104230827-B | 1-(aryl methyl) quinazoline-2,4 (1H, 3H)-diketone is as PARP inhibitor and application thereof | 南京英派药业有限公司 | 2016-10-26 | — | — | CN | disclosed |