Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHIT1 | Q13231 | 14/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL410254 | 0.83 | — | — | |
| Trifluoroacetic Acid SCHEMBL6885600 | 0.81 | NOS1 (0.35) | CHIT1NOS1NOS2LMNAKMT2A | |
| Trifluoroacetic Acid SCHEMBL6221198 | 0.80 | CHIT1 (0.38) | CHIT1MCL1LMNA | |
| Trifluoroacetic Acid SCHEMBL29695879 | 0.79 | CHIT1 (0.38) | CHIT1NOS1NOS2LMNA | |
| Trifluoroacetic Acid SCHEMBL28148714 | 0.77 | MEN1 (0.36) | CHIT1MCL1LMNAKMT2A | |
| Trifluoroacetic Acid SCHEMBL4276694 | 0.76 | CHIT1 (0.35) | CHIT1NOS1NOS2 | |
| Trifluoroacetic Acid SCHEMBL3723315 | 0.75 | CHIT1 (0.36) | CHIT1NOS1NOS2 | |
| Trifluoroacetic Acid SCHEMBL3241512 | 0.74 | FFAR3 (0.40) | NOS1NOS2KMT2A | |
| Trifluoroacetic Acid SCHEMBL20527407 | 0.74 | FFAR3 (0.40) | NOS1NOS2KMT2A | |
| Trifluoroacetic Acid SCHEMBL29921797 | 0.74 | FFAR3 (0.40) | NOS1NOS2KMT2A |
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 |