Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.52 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NSD2 | O96028 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL275887 | 0.91 | CCR5 (0.62) | CCR5PTPN1PTGDR2CYP1A2CYP3A4 | |
| SCHEMBL30866193 | 0.91 | CCR5 (0.62) | CCR5PTPN1PTGDR2CYP1A2CYP3A4 | |
| SCHEMBL5631333 | 0.91 | MAOA (0.51) | CCR5PTPN1MAPTFFAR1FFAR4 | |
| SCHEMBL324826 | 0.85 | CCNB2 (0.56) | MAPTKMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL29227186 | 0.83 | PTPN1 (0.63) | PTPN1 | |
| SCHEMBL30873564 | 0.83 | PTPN1 (0.63) | PTPN1 | |
| SCHEMBL29227167 | 0.82 | LMNA (0.58) | CCR5PTGDR2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29690603 | 0.82 | PTGDR2 (0.55) | CCR5PTPN1PTGDR2CYP1A2CYP3A4 | |
| SCHEMBL29227218 | 0.82 | CCR5 (0.56) | CCR5PTGDR2MAPTKMT2AMAOA | |
| SCHEMBL28943814 | 0.82 | PTGDR2 (0.55) | CCR5PTPN1PTGDR2CYP1A2CYP3A4 |
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-117946031-A | Substituted aromatic phenol derivatives of KNa1.1 channel inhibitors | 北京大学 | 2024-04-30 | — | — | CN | disclosed |