Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 3/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.48 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.47 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | RGS4 | P49798 | 1/20 | 0.44 |
| ▸ | RGS8 | P57771 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20853333 | 1.00 | CCR2 (0.48) | CCR2PTGS2TBXA2RPIK3R1PIK3CA | |
| SCHEMBL20853274 | 0.90 | RGS4 (0.44) | CCR2PTGS2TBXA2RPIK3R1PIK3CA | |
| SCHEMBL20853114 | 0.85 | CCR9 (0.48) | CCR2PTGS2RGS4RGS8KDM4E | |
| SCHEMBL18247571 | 0.83 | P2RX4 (0.53) | CCR2KDM4ELMNANPSR1ALDH1A1 | |
| SCHEMBL30229439 | 0.83 | P2RX4 (0.53) | CCR2KDM4ELMNANPSR1ALDH1A1 | |
| SCHEMBL6867972 | 0.82 | ALDH1A1 (0.53) | CCR2TSHRALDH1A1 | |
| SCHEMBL27204184 | 0.82 | KDM4E (0.54) | CCR2PTGS2TBXA2RPIK3R1PIK3CA | |
| SCHEMBL18247588 | 0.80 | KDM4E (0.40) | CCR2PTGS2KDM4EALDH1A1HPGD | |
| SCHEMBL29173701 | 0.80 | PDE5A (0.57) | CCR2PTGS2TBXA2RPIK3R1PIK3CA | |
| SCHEMBL6303307 | 0.79 | CCR2 (0.76) | CCR2PTGS2TBXA2RKDM4ELMNA |
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-111108105-B | Heterocyclic compounds as PAD inhibitors | 朱比兰特埃皮帕德有限公司 | 2023-03-31 | — | — | CN | disclosed |