Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 3/20 | 0.51 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | EP300 | Q09472 | 3/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5570624 | 0.87 | F10 (0.44) | CNR1P2RY1EPHX2EP300ALDH1A1 | |
| SCHEMBL5570336 | 0.85 | F10 (0.42) | CNR1P2RY1EPHX2CYP2D6ALDH1A1 | |
| SCHEMBL5566030 | 0.85 | F10 (0.42) | CNR1P2RY1EPHX2CYP2D6ALDH1A1 | |
| SCHEMBL5570567 | 0.83 | CNR1 (0.52) | CNR1EPHX2EP300CASRMAPT | |
| SCHEMBL5669932 | 0.82 | F10 (0.57) | P2RY1ALDH1A1MAPT | |
| SCHEMBL5570735 | 0.82 | EPHX2 (0.53) | CNR1EPHX2EP300HRH3CASR | |
| SCHEMBL5570583 | 0.82 | CNR1 (0.50) | CNR1EPHX2EP300CASRMAPT | |
| SCHEMBL5570302 | 0.82 | SLC6A2 (0.48) | CNR1EPHX2CYP2D6EP300ALDH1A1 | |
| SCHEMBL5673411 | 0.81 | PYGL (0.47) | — | |
| SCHEMBL5672325 | 0.80 | F10 (0.56) | P2RY1EPHX2ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1628668-A2 | 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITO RS | Bristol-Myers Squibb Company (US) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004108892-A2 | 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) | 2004-12-16 | — | — | WO | disclosed |