Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.48 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.46 |
| ▸ | UTS2R | Q9UKP6 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | EP300 | Q09472 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5570567 | 0.96 | CNR1 (0.52) | SLC6A2SLC6A4SLC6A3CNR1EPHX2 | |
| SCHEMBL5570583 | 0.86 | CNR1 (0.50) | CNR1EPHX2UTS2RMAPTCASR | |
| SCHEMBL5570735 | 0.86 | EPHX2 (0.53) | CNR1EPHX2UTS2RMAPTCASR | |
| SCHEMBL5570803 | 0.83 | F10 (0.40) | SLC6A2SLC6A4SLC6A3CNR1EPHX2 | |
| SCHEMBL5565619 | 0.82 | CNR1 (0.51) | CNR1EPHX2MAPTCASRCYP2D6 | |
| SCHEMBL5670745 | 0.80 | CNR1 (0.45) | CNR1MAPTCASREP300ALDH1A1 | |
| SCHEMBL5670025 | 0.79 | F10 (0.53) | SLC6A2SLC6A4SLC6A3CNR1EP300 | |
| SCHEMBL5569213 | 0.77 | SLC6A4 (0.52) | SLC6A2SLC6A4SLC6A3EPHX2MAPT | |
| SCHEMBL5671937 | 0.77 | CNR1 (0.46) | CNR1UTS2RMAPTCASREP300 | |
| SCHEMBL5670191 | 0.77 | MAPT (0.45) | CNR1UTS2RMAPTCASREP300 |
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 |