Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.61 |
| ▸ | CCR5 | P51681 | 6/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.58 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.57 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.53 |
| ▸ | CDK1 | P06493 | 1/20 | 0.53 |
| ▸ | CDK4 | P11802 | 1/20 | 0.53 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.53 |
| ▸ | CCND1 | P24385 | 1/20 | 0.53 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.53 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.52 |
| ▸ | USP25 | Q9UHP3 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL82269 | 1.00 | PTGDR2 (0.61) | PTGDR2CCR5PTPN1LMNAUSP2 | |
| SCHEMBL4427861 | 0.88 | CCR5 (0.50) | PTGDR2CCR5PTPN1LMNAUSP2 | |
| SCHEMBL8730471 | 0.86 | PTGDR2 (0.60) | PTGDR2CCR5PTPN1LMNAUSP2 | |
| SCHEMBL12018748 | 0.85 | CDK4 (0.71) | PTGDR2CCR5PTPN1LMNAUSP2 | |
| SCHEMBL4937634 | 0.85 | LTA4H (0.51) | PTGDR2CCR5PTPN1LMNAUSP2 | |
| SCHEMBL5700125 | 0.85 | PTGDR2 (0.55) | PTGDR2CCR5PTPN1LMNAUSP2 | |
| SCHEMBL9077723 | 0.85 | PTGDR2 (0.58) | PTGDR2CCR5PTPN1LMNAUSP2 | |
| SCHEMBL29689869 | 0.85 | CCR5 (0.63) | PTGDR2CCR5LMNAALDH1A1CYP1A2 | |
| SCHEMBL275887 | 0.85 | CCR5 (0.62) | PTGDR2CCR5PTPN1LMNAHTT | |
| SCHEMBL30866193 | 0.85 | CCR5 (0.62) | PTGDR2CCR5PTPN1LMNAHTT |
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 |