Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 10/20 | 0.37 |
| ▸ | PGK1 | P00558 | 1/20 | 0.36 |
| ▸ | PGK2 | P07205 | 1/20 | 0.36 |
| ▸ | AGXT | P21549 | 4/20 | 0.35 |
| ▸ | MPO | P05164 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL486201 | 0.82 | CCR1 (0.55) | KCNH2CCR1HRH4GRIN2DGRIN3B | |
| SCHEMBL4050129 | 0.79 | KCNH2 (0.44) | KCNH2CCR1HRH4GRIN2DGRIN3B | |
| SCHEMBL29695042 | 0.79 | KCNH2 (0.44) | KCNH2CCR1HRH4GRIN2DGRIN3B | |
| SCHEMBL22838148 | 0.79 | IDO1 (0.41) | KCNH2HRH4GRIN2DGRIN3BGRIN1 | |
| SCHEMBL31098538 | 0.77 | HRH4 (0.39) | KCNH2CCR1HRH4GRIN2DGRIN3B | |
| SCHEMBL9644596 | 0.77 | HRH4 (0.39) | KCNH2CCR1HRH4GRIN2DGRIN3B | |
| SCHEMBL1556910 | 0.77 | BACE1 (0.43) | KCNH2IDO1AGXTMPOCYP3A4 | |
| SCHEMBL29529715 | 0.76 | KCNH2 (0.38) | KCNH2CCR1HRH4GRIN2DGRIN3B | |
| SCHEMBL4715736 | 0.76 | KCNH2 (0.38) | KCNH2CCR1HRH4GRIN2DGRIN3B | |
| SCHEMBL31098473 | 0.76 | CCR1 (0.44) | KCNH2CCR1HRH4GRIN2DGRIN3B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014104015-A1 | NOVEL DIAMINE, POLYMER, LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME | 日産化学工業株式会社 (JP) | 2014-07-03 | — | — | WO | disclosed |