Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OXER1 | Q8TDS5 | 8/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | EIF4A1 | P60842 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL27729604 | 0.90 | OXER1 (0.46) | OXER1EIF4A1ALDH1A1TDP1CCR2 | |
| SCHEMBL9486251 | 0.82 | CYP19A1 (0.52) | CYP19A1ALDH1A1CYP1A2 | |
| SCHEMBL6750905 | 0.77 | CYP19A1 (0.49) | CYP19A1ALDH1A1TDP1CCR2CYP1A2 | |
| SCHEMBL3638008 | 0.74 | NOD2 (0.53) | ALDH1A1CCR2 | |
| SCHEMBL2001099 | 0.74 | CYP19A1 (0.46) | CYP19A1ALDH1A1TDP1CCR2CYP1A2 | |
| SCHEMBL27447038 | 0.73 | CYP1A2 (0.46) | CYP19A1ALDH1A1CCR2CYP1A2 | |
| SCHEMBL23320526 | 0.71 | CYP19A1 (0.67) | CYP19A1TDP1CCR2 | |
| SCHEMBL3638010 | 0.70 | CCR2 (0.50) | CYP19A1ALDH1A1CCR2 | |
| SCHEMBL9541803 | 0.69 | CYP1A2 (0.44) | CYP19A1ALDH1A1TDP1CCR2CYP1A2 | |
| SCHEMBL29697822 | 0.69 | CCR2 (0.52) | CYP19A1ALDH1A1TDP1CCR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104744461-A | Lactam-containing compounds and derivatives thereof as factor Xa inhibitors | BRISTOL MYERS SQUIBB CO | 2015-07-01 | — | — | CN | disclosed |
| CN-102617567-A | Lactam-containing compounds and derivatives thereof as factor Xa inhibitors | BRISTOL MYERS SQUIBB CO | 2012-08-01 | — | — | CN | disclosed |
| CN-101357914-A | Lactam-containing compounds and derivatives thereof as factor xa inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-02-04 | — | — | CN | disclosed |