Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | MAOA | P21397 | 3/20 | 0.66 |
| ▸ | MAOB | P27338 | 3/20 | 0.66 |
| ▸ | FABP1 | P07148 | 1/20 | 0.66 |
| ▸ | FABP6 | P51161 | 1/20 | 0.66 |
| ▸ | NPC1 | O15118 | 5/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL229311 | 1.00 | CXCR4 (0.68) | CXCR4CYP1A2MAOAMAOBFABP1 | |
| SCHEMBL3955545 | 0.83 | ALDH1A1 (0.65) | CXCR4CYP1A2MAOAMAOBFABP1 | |
| SCHEMBL1244338 | 0.83 | MAOA (0.70) | CYP1A2MAOAMAOBNPC1RAB9A | |
| SCHEMBL29351380 | 0.81 | CXCR4 (1.00) | CXCR4CYP1A2FABP1FABP6NPC1 | |
| SCHEMBL589266 | 0.81 | CXCR4 (1.00) | CXCR4CYP1A2FABP1FABP6NPC1 | |
| SCHEMBL29846220 | 0.81 | MAOA (0.68) | CYP1A2MAOAMAOBNPC1RAB9A | |
| SCHEMBL23938004 | 0.81 | NPC1 (0.62) | CXCR4CYP1A2MAOAMAOBFABP1 | |
| SCHEMBL4777942 | 0.81 | MAOA (0.53) | CXCR4CYP1A2MAOAMAOBFABP1 | |
| SCHEMBL15830499 | 0.81 | NOS2 (0.67) | CYP1A2MAOAMAOBNPC1RAB9A | |
| SCHEMBL1108639 | 0.81 | NPC1 (0.62) | CXCR4CYP1A2MAOAMAOBNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116606292-A | Pyrido [1,2-a ] pyrimidinone derivatives containing sulfonamide unit, preparation method and application thereof | 贵州大学 | 2023-08-18 | — | — | CN | disclosed |