Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | SPHK1 | Q9NYA1 | 6/20 | 0.47 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.43 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.43 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.43 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.39 |
| ▸ | LNPEP | Q9UIQ6 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5567510 | 0.84 | AAK1 (0.50) | P2RY1AAK1 | |
| SCHEMBL5570412 | 0.77 | P2RY1 (0.46) | S1PR3P2RY1 | |
| SCHEMBL5569965 | 0.77 | F10 (0.45) | S1PR3P2RY1AAK1 | |
| SCHEMBL5566711 | 0.74 | MAPT (0.44) | S1PR3P2RY1 | |
| SCHEMBL5569380 | 0.74 | P2RY1 (0.43) | P2RY1 | |
| SCHEMBL23454623 | 0.73 | SPHK1 (0.59) | CHEK1SPHK1SPHK2S1PR1S1PR3 | |
| SCHEMBL6290986 | 0.73 | SPHK1 (0.59) | CHEK1SPHK1SPHK2S1PR1S1PR3 | |
| SCHEMBL9267426 | 0.72 | MEN1 (0.61) | CHEK1SPHK1SPHK2S1PR1S1PR3 | |
| SCHEMBL5264997 | 0.72 | MEN1 (0.61) | CHEK1SPHK1SPHK2S1PR1S1PR3 | |
| SCHEMBL5567507 | 0.72 | P2RY1 (0.41) | P2RY1 |
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 |