Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.46 |
| ▸ | GRM1 | Q13255 | 7/20 | 0.46 |
| ▸ | GRM5 | P41594 | 7/20 | 0.46 |
| ▸ | CDK9 | P50750 | 3/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.43 |
| ▸ | JAK1 | P23458 | 1/20 | 0.43 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.42 |
| ▸ | WNT3A | P56704 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23756602 | 1.00 | PDE10A (0.46) | PDE10AGRM1GRM5CDK9CCNT1 | |
| SCHEMBL30122546 | 0.90 | PDE10A (0.39) | PDE10AGRM1GRM5CDK9CCNT1 | |
| SCHEMBL25581555 | 0.88 | PDE10A (0.49) | PDE10AGRM1GRM5CDK9CCNT1 | |
| SCHEMBL29942289 | 0.84 | PDK4 (0.52) | GRM1GRM5CDK9CCNT1JAK1 | |
| SCHEMBL23756013 | 0.84 | PDK4 (0.52) | GRM1GRM5CDK9CCNT1JAK1 | |
| SCHEMBL29942132 | 0.80 | CDK9 (0.44) | GRM1GRM5CDK9CCNT1JAK1 | |
| SCHEMBL23755478 | 0.80 | CDK9 (0.44) | GRM1GRM5CDK9CCNT1JAK1 | |
| SCHEMBL17109184 | 0.80 | KDM4E (0.52) | JAK1PDE4B | |
| SCHEMBL23755847 | 0.78 | HPGD (0.51) | JAK1GPR119 | |
| SCHEMBL29941903 | 0.78 | HPGD (0.51) | JAK1GPR119 |
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 |