Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | AHCY | P23526 | 1/20 | 0.33 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5800853 | 0.87 | ALDH1A1 (0.39) | ALDH1A1CHEK2CNR1PDE7BPRMT5 | |
| SCHEMBL5479053 | 0.82 | ALDH1A1 (0.37) | ALDH1A1CHEK2CNR1PDE7BPRMT5 | |
| SCHEMBL8515983 | 0.81 | CHEK2 (0.40) | ALDH1A1CHEK2PDE7BPRMT5TRPV1 | |
| SCHEMBL5772427 | 0.78 | F2 (0.38) | CHEK1 | |
| SCHEMBL5769284 | 0.78 | CHEK2 (0.40) | ALDH1A1CHEK2PDE7BPRMT5TRPV1 | |
| SCHEMBL5773134 | 0.75 | ATM (0.39) | ALDH1A1CHEK2PDE7BPRMT5TRPV1 | |
| SCHEMBL8516353 | 0.72 | F2 (0.40) | CCNT1CDK2 | |
| SCHEMBL5769599 | 0.72 | ATM (0.38) | ALDH1A1CHEK2PDE7BPRMT5TRPV1 | |
| SCHEMBL8519327 | 0.70 | PIK3CA (0.39) | ALDH1A1CNR1FGFR1 | |
| SCHEMBL5769605 | 0.68 | TRPV1 (0.37) | ALDH1A1CHEK2PDE7BPRMT5TRPV1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006066899-A1 | NOVEL THROMBIN INHIBITORS | SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) | 2006-06-29 | — | — | WO | disclosed |
| EP-1674464-A1 | Novel thrombin inhibitors | Santhera Pharmaceuticals (Schweiz) GmbH (CH) | 2006-06-28 | — | — | EP | disclosed |
| EP-1674464-A1 | Novel thrombin inhibitors | Santhera Pharmaceuticals (Schweiz) GmbH (CH) | 2006-06-28 | — | — | EP | disclosed |