Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.32 |
| ▸ | F11 | P03951 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Pivalamide SCHEMBL20298195 | 0.88 | ALDH1A1 (0.40) | ALDH1A1TSHRNOS1NOS2MAPT | |
| Trifluoroacetic Acid SCHEMBL30684471 | 0.86 | ALDH1A1 (0.53) | ALDH1A1TSHRNOS1NOS2MAPT | |
| Trifluoroacetic Acid SCHEMBL2392878 | 0.86 | NOS1 (0.42) | ALDH1A1TSHRNOS1NOS2MAPT | |
| Trifluoroacetamide SCHEMBL5567520 | 0.84 | ACHE (0.40) | ALDH1A1TSHRNOS1NOS2ACHE | |
| Trifluoroacetic Acid SCHEMBL937102 | 0.81 | LMNA (0.53) | ALDH1A1TSHRNOS1NOS2ACHE | |
| Trifluoroacetic Acid SCHEMBL22557988 | 0.81 | LMNA (0.53) | ALDH1A1TSHRNOS1NOS2ACHE | |
| SCHEMBL925909 | 0.81 | — | — | |
| Trifluoroacetamide SCHEMBL5564898 | 0.81 | ACHE (0.38) | ALDH1A1TSHRNOS1NOS2ACHE | |
| Trifluoroacetic Acid SCHEMBL2267588 | 0.81 | ALDH1A1 (0.44) | ALDH1A1TSHRNOS1NOS2MAPT | |
| Trifluoroacetic Acid SCHEMBL5744812 | 0.81 | LMNA (0.53) | ALDH1A1TSHRNOS1NOS2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-6794365-B2 | INHIBITORS OF THE BLOOD CLOTTING ENZYME FACTOR XA; TREATING THROMBOEMBOLIC DISEASES; TRIFLUOROACETIC ACID SALT OF 2-(4-CARBAMIMIDOYL-BENZYL)-N-((1-CARBAMOYL-4-GUANIDINO-BUTYLCARBAMOYL) -CYCLOHEXYL-METHYL)-N',N'-DIMETHYL-MALONAMIDE | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2004-09-21 | — | — | US | disclosed |
| US-6395737-B1 | ANTICOAGULANTS | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-05-28 | — | — | US | disclosed |