Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 13/20 | 0.63 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.55 |
| ▸ | STAT3 | P40763 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | TACR2 | P21452 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL5699666 | 1.00 | CCR5 (0.63) | CCR5PTGDR2STAT3NPSR1TACR2 | |
| SCHEMBL29227218 | 0.91 | CCR5 (0.56) | CCR5PTGDR2STAT3NPSR1TACR2 | |
| SCHEMBL30679658 | 0.88 | CCR5 (0.59) | CCR5STAT3NPSR1TACR2SLC6A4 | |
| SCHEMBL5699833 | 0.85 | LMNA (0.69) | CCR5PTGDR2NPC1ALDH1A1LMNA | |
| SCHEMBL5700125 | 0.85 | PTGDR2 (0.55) | CCR5PTGDR2NPC1ALDH1A1LMNA | |
| SCHEMBL30866193 | 0.85 | CCR5 (0.62) | CCR5PTGDR2NPSR1MEN1POLB | |
| SCHEMBL275887 | 0.85 | CCR5 (0.62) | CCR5PTGDR2NPSR1MEN1POLB | |
| SCHEMBL82269 | 0.85 | PTGDR2 (0.61) | CCR5PTGDR2SLC6A4NPC1ALDH1A1 | |
| SCHEMBL29690396 | 0.85 | PTGDR2 (0.61) | CCR5PTGDR2SLC6A4NPC1ALDH1A1 | |
| SCHEMBL2284584 | 0.85 | CCR5 (0.65) | CCR5PTGDR2SLC6A4CYP1A2CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114671815-B | Aryl barbiturates compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2024-05-14 | — | — | CN | disclosed |
| CN-117430570-A | Rhodamine acetic acid compound, and pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-01-23 | — | — | CN | disclosed |
| CN-114671815-A | Aryl barbiturates compound and preparation method and application thereof | 中国医学科学院药物研究所 | 2022-06-28 | — | — | CN | disclosed |