Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.82 |
| ▸ | FABP1 | P07148 | 1/20 | 0.73 |
| ▸ | FABP6 | P51161 | 1/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.70 |
| ▸ | RAB9A | P51151 | 3/20 | 0.64 |
| ▸ | NPC1 | O15118 | 2/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | HPGD | P15428 | 3/20 | 0.63 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.56 |
| ▸ | NOS1 | P29475 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9795450 | 1.00 | CXCR4 (0.82) | CXCR4FABP1FABP6KDM4ERAB9A | |
| SCHEMBL28467501 | 0.91 | CXCR4 (0.68) | CXCR4FABP1FABP6KDM4ERAB9A | |
| SCHEMBL589266 | 0.91 | CXCR4 (1.00) | CXCR4FABP1FABP6KDM4ERAB9A | |
| SCHEMBL29351380 | 0.91 | CXCR4 (1.00) | CXCR4FABP1FABP6KDM4ERAB9A | |
| SCHEMBL10055030 | 0.85 | CXCR4 (0.89) | CXCR4FABP1FABP6KDM4ERAB9A | |
| SCHEMBL29664808 | 0.85 | FABP1 (1.00) | CXCR4FABP1FABP6KDM4ERAB9A | |
| SCHEMBL2230559 | 0.85 | FABP1 (1.00) | CXCR4FABP1FABP6KDM4ERAB9A | |
| SCHEMBL27585010 | 0.83 | FABP1 (0.96) | CXCR4FABP1FABP6KDM4ERAB9A | |
| Hydrochloric Acid SCHEMBL4696844 | 0.83 | FABP1 (0.96) | CXCR4FABP1FABP6KDM4ERAB9A | |
| Fluoride SCHEMBL28270594 | 0.83 | FABP1 (0.96) | CXCR4FABP1FABP6KDM4ERAB9A |
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-113651811-B | Isoxazole-containing pyridopyrimidone compound and preparation method and application thereof | 贵州大学 | 2022-06-07 | — | — | CN | disclosed |
| CN-113336750-B | Dithioacetal-containing pyridopyrimidone derivative and preparation and application thereof | 贵州大学 | 2022-06-07 | — | — | CN | disclosed |