Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | PNMT | P11086 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8295480 | 0.83 | CYP1A2 (0.37) | CYP1A2CYP2A6CYP3A4CYP2D6NFKB1 | |
| SCHEMBL8295503 | 0.83 | CYP1A2 (0.39) | CYP1A2CYP2A6CYP3A4CYP2D6NFKB1 | |
| SCHEMBL8295481 | 0.79 | CYP2D6 (0.34) | CYP1A2CYP2A6CYP3A4CYP2D6 | |
| SCHEMBL8287999 | 0.73 | CYP1A2 (0.50) | CYP1A2CYP2A6CYP3A4ALDH1A1NR4A2 | |
| SCHEMBL8268455 | 0.71 | CYP1A2 (0.48) | CYP1A2CYP2A6CYP3A4ALDH1A1NR4A2 | |
| SCHEMBL22743919 | 0.71 | HSD17B1 (0.46) | CYP1A2CYP2A6CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL14350356 | 0.70 | CYP1A2 (0.36) | CYP1A2CYP2A6CYP3A4LMNANR4A2 | |
| SCHEMBL9881355 | 0.68 | CYP1A2 (0.41) | CYP1A2CYP2A6ALDH1A1NR4A2GAA | |
| SCHEMBL9881352 | 0.68 | KDM4E (0.47) | CYP3A4ALDH1A1GAANOTUM | |
| SCHEMBL8268459 | 0.67 | CYP1A2 (0.43) | CYP1A2CYP2A6CYP3A4CYP2D6ALDH1A1 |
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-7338963-B2 | Lactam-containing compounds and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-03-04 | — | — | US | 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 |
| WO-2004083174-A2 | SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |