Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 11/20 | 0.50 |
| ▸ | CIT | O14578 | 7/20 | 0.45 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5569392 | 0.84 | CHEK1 (0.49) | AAK1P2RY1 | |
| SCHEMBL5570412 | 0.79 | P2RY1 (0.46) | P2RY1ALDH1A1MAPTNPSR1 | |
| SCHEMBL5569965 | 0.79 | F10 (0.45) | AAK1P2RY1ALDH1A1MAPT | |
| SCHEMBL28139220 | 0.79 | MAPT (0.69) | AAK1CITALDH1A1MAPTNPSR1 | |
| SCHEMBL5670540 | 0.77 | F10 (0.58) | — | |
| SCHEMBL5566711 | 0.76 | MAPT (0.44) | P2RY1ALDH1A1MAPTNPSR1 | |
| SCHEMBL5567507 | 0.76 | P2RY1 (0.41) | P2RY1ALDH1A1MAPTNPSR1 | |
| SCHEMBL5569380 | 0.76 | P2RY1 (0.43) | P2RY1ALDH1A1MAPT | |
| SCHEMBL5567238 | 0.73 | F10 (0.48) | ALDH1A1NPSR1 | |
| SCHEMBL9490663 | 0.72 | AAK1 (0.67) | AAK1CITMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7250415-B2 | 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-07-31 | — | — | US | disclosed |