Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.52 |
| ▸ | JAK1 | P23458 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 5/20 | 0.42 |
| ▸ | GRM1 | Q13255 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL23756013 | 1.00 | PDK4 (0.52) | PDK4JAK1CNR1ELANEHTR6 | |
| SCHEMBL25581543 | 0.88 | PDK4 (0.57) | PDK4JAK1CNR1HTR6GRM5 | |
| SCHEMBL29942132 | 0.87 | CDK9 (0.44) | PDK4JAK1CNR1ELANEHTR6 | |
| SCHEMBL23755478 | 0.87 | CDK9 (0.44) | PDK4JAK1CNR1ELANEHTR6 | |
| SCHEMBL23756602 | 0.84 | PDE10A (0.46) | PDK4JAK1GRM5GRM1GABRP | |
| SCHEMBL29942167 | 0.84 | PDE10A (0.46) | PDK4JAK1GRM5GRM1GABRP | |
| SCHEMBL17109184 | 0.81 | KDM4E (0.52) | JAK1CNR1MAPTKDM4EALDH1A1 | |
| SCHEMBL16112803 | 0.80 | PDK4 (0.61) | PDK4JAK1CNR1ELANEHTR6 | |
| SCHEMBL18331902 | 0.78 | TNF (0.43) | PDK4JAK1CNR1ELANEHTR6 | |
| SCHEMBL30122394 | 0.78 | CDK9 (0.38) | PDK4JAK1CNR1ELANEHTR6 |
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-115348961-B | Heterocyclic PAD4 inhibitors | 百时美施贵宝公司 | 2025-03-04 | — | — | CN | disclosed |
| CN-115348961-A | Heterocyclic PAD4 inhibitors | 百时美施贵宝公司 | 2022-11-15 | — | — | CN | disclosed |