Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.49 |
| ▸ | CCR5 | P51681 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.44 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28943814 | 1.00 | PTGDR2 (0.55) | PTGDR2CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL18001857 | 0.88 | PTPN1 (0.56) | PTGDR2CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL275887 | 0.88 | CCR5 (0.62) | PTGDR2CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL30866193 | 0.88 | CCR5 (0.62) | PTGDR2CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL5627441 | 0.84 | PTGDR2 (0.54) | PTGDR2CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL29227151 | 0.82 | CCR5 (0.52) | PTGDR2CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL29690396 | 0.82 | PTGDR2 (0.61) | PTGDR2CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL82269 | 0.82 | PTGDR2 (0.61) | PTGDR2CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL5700125 | 0.79 | PTGDR2 (0.55) | PTGDR2CYP1A2CYP3A4CYP2D6MAPT | |
| SCHEMBL29689869 | 0.79 | CCR5 (0.63) | PTGDR2CYP1A2CYP3A4CYP2D6MAPT |
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-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-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 |