Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR9 | P51686 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 2/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 9/20 | 0.32 |
| ▸ | PDE5A | O76074 | 2/20 | 0.32 |
| ▸ | PDE4A | P27815 | 2/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | CDK4 | P11802 | 1/20 | 0.30 |
| ▸ | CCND1 | P24385 | 1/20 | 0.30 |
| ▸ | CCND2 | P30279 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23755703 | 1.00 | CCR9 (0.34) | CCR9PIM1PIM3PIM2CTSL | |
| SCHEMBL30122584 | 0.97 | CCR9 (0.33) | CCR9PIM1PIM3PIM2CTSL | |
| SCHEMBL23777027 | 0.82 | NOTUM (0.40) | CCR9CTSLCTSSCTSKCNR2 | |
| SCHEMBL29641062 | 0.79 | CTSL (0.38) | CCR9PIM1PIM3PIM2CTSL | |
| SCHEMBL24571978 | 0.79 | CTSL (0.38) | CCR9PIM1PIM3PIM2CTSL | |
| SCHEMBL23756782 | 0.78 | CCR9 (0.35) | CCR9CTSLCTSSCTSKCNR2 | |
| SCHEMBL30122542 | 0.78 | CCR9 (0.35) | CCR9CTSLCTSSCTSKCNR2 | |
| SCHEMBL23755776 | 0.78 | CCR9 (0.35) | CCR9CTSLCTSSCTSKCNR2 | |
| SCHEMBL29641117 | 0.78 | CCR9 (0.35) | CCR9CTSLCTSSCTSKCNR2 | |
| SCHEMBL29850694 | 0.77 | CCR9 (0.56) | CCR9 |
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-115348961-B | Heterocyclic PAD4 inhibitors | 百时美施贵宝公司 | 2025-03-04 | — | — | CN | disclosed |
| EP-4103559-A1 | HETEROCYCLIC PAD4 INHIBITORS | Bristol-Myers Squibb Company (US) | 2022-12-21 | — | — | EP | disclosed |
| CN-115348961-A | Heterocyclic PAD4 inhibitors | 百时美施贵宝公司 | 2022-11-15 | — | — | CN | disclosed |