Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.52 |
| ▸ | PGK1 | P00558 | 1/20 | 0.46 |
| ▸ | PGK2 | P07205 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | 0.97 | CCR1 (0.55) | CCR1PGK1PGK2HRH4GRIN2D | |
| SCHEMBL243652 | 0.85 | CCR1 (0.44) | CCR1PGK1PGK2HRH4GRIN2D | |
| SCHEMBL16682539 | 0.85 | CCR1 (0.44) | CCR1PGK1PGK2HRH4GRIN2D | |
| SCHEMBL29028968 | 0.85 | CCR1 (0.44) | CCR1PGK1PGK2HRH4GRIN2D | |
| SCHEMBL942940 | 0.85 | CCR1 (0.44) | CCR1PGK1PGK2HRH4GRIN2D | |
| SCHEMBL31098473 | 0.85 | CCR1 (0.44) | CCR1PGK1PGK2HRH4GRIN2D | |
| SCHEMBL5104176 | 0.85 | CCR1 (0.44) | CCR1PGK1PGK2HRH4GRIN2D | |
| SCHEMBL6983417 | 0.85 | PGK1 (0.45) | CCR1PGK1PGK2HRH4GRIN2D | |
| SCHEMBL16588099 | 0.83 | CCR1 (0.48) | CCR1PGK1PGK2HRH4GRIN2D | |
| Hydrochloric Acid SCHEMBL21814461 | 0.83 | GRIN2D (0.45) | CCR1PGK1PGK2HRH4GRIN2D |
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-106243015-B | 2, 6-pyridinedimethanol nickel complex crystal and application thereof | 合肥祥晨化工有限公司 | 2018-09-25 | — | — | CN | disclosed |
| CN-106243015-A | 2, 6-pyridinedimethanol nickel complex crystal and application thereof | 合肥祥晨化工有限公司 | 2016-12-21 | — | — | CN | disclosed |